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Wyszukujesz frazę ""Drug Evaluation"" wg kryterium: Temat


Tytuł :
Survey of ex vivo drug combination effects in chronic lymphocytic leukemia reveals synergistic drug effects and genetic dependencies.
Autorzy :
Lukas M; Department of Molecular Therapy in Haematology and Oncology, DKFZ & NCT Heidelberg, Heidelberg, Germany.; Department of Internal Medicine II, Klinikum Rechts der Isar, TU München, München, Germany.
Velten B; Genome Biology Unit, EMBL, Heidelberg, Germany.
Sellner L; Department of Molecular Therapy in Haematology and Oncology, DKFZ & NCT Heidelberg, Heidelberg, Germany.; Department of Internal Medicine V, Heidelberg University Hospital, Heidelberg, Germany.
Tomska K; Department of Molecular Therapy in Haematology and Oncology, DKFZ & NCT Heidelberg, Heidelberg, Germany.; Department of Pediatrics, University Hospital Heidelberg, Heidelberg, Germany.
Hüellein J; Department of Molecular Therapy in Haematology and Oncology, DKFZ & NCT Heidelberg, Heidelberg, Germany.; Genome Biology Unit, EMBL, Heidelberg, Germany.
Walther T; Department of Molecular Therapy in Haematology and Oncology, DKFZ & NCT Heidelberg, Heidelberg, Germany.
Wagner L; Department of Molecular Therapy in Haematology and Oncology, DKFZ & NCT Heidelberg, Heidelberg, Germany.
Muley C; Department of Molecular Therapy in Haematology and Oncology, DKFZ & NCT Heidelberg, Heidelberg, Germany.
Wu B; Department of Molecular Therapy in Haematology and Oncology, DKFZ & NCT Heidelberg, Heidelberg, Germany.
Oleś M; Genome Biology Unit, EMBL, Heidelberg, Germany.
Dietrich S; Department of Internal Medicine V, Heidelberg University Hospital, Heidelberg, Germany.
Jethwa A; Department of Molecular Therapy in Haematology and Oncology, DKFZ & NCT Heidelberg, Heidelberg, Germany.
Bohnenberger H; Institute of Pathology, University Medical Center Göttingen, Göttingen, Germany.
Lu J; Genome Biology Unit, EMBL, Heidelberg, Germany.
Huber W; Genome Biology Unit, EMBL, Heidelberg, Germany. .
Zenz T; Department of Medical Oncology and Haematology, University Hospital Zürich and University of Zürich, Zürich, Switzerland. .
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Źródło :
Leukemia [Leukemia] 2020 Nov; Vol. 34 (11), pp. 2934-2950. Date of Electronic Publication: 2020 May 13.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Drug Evaluation, Preclinical*/methods
Drug Evaluation, Preclinical*/standards
Antineoplastic Agents/*pharmacology
Drug Resistance, Neoplasm/*genetics
Leukemia, Lymphocytic, Chronic, B-Cell/*genetics
Antineoplastic Agents/administration & dosage ; Antineoplastic Agents/adverse effects ; Antineoplastic Combined Chemotherapy Protocols/adverse effects ; Antineoplastic Combined Chemotherapy Protocols/therapeutic use ; Biomarkers, Tumor ; Cell Line, Tumor ; Dose-Response Relationship, Drug ; Drug Synergism ; High-Throughput Nucleotide Sequencing/methods ; High-Throughput Nucleotide Sequencing/standards ; Humans ; Leukemia, Lymphocytic, Chronic, B-Cell/diagnosis ; Leukemia, Lymphocytic, Chronic, B-Cell/drug therapy ; Primary Cell Culture ; Protein Kinase Inhibitors/pharmacology ; Protein Kinase Inhibitors/therapeutic use ; Proto-Oncogene Proteins c-bcl-2/antagonists & inhibitors ; Proto-Oncogene Proteins c-bcl-2/genetics ; Proto-Oncogene Proteins c-bcl-2/metabolism ; Receptors, Antigen, B-Cell/antagonists & inhibitors ; Receptors, Antigen, B-Cell/genetics ; Receptors, Antigen, B-Cell/metabolism ; Reproducibility of Results
Czasopismo naukowe
Tytuł :
Effective drug treatment identified by in vivo screening in a transplantable patient-derived xenograft model of chronic myelomonocytic leukemia.
Autorzy :
Kloos A; Department of Hematology, Hemostasis, Oncology and Stem Cell Transplantation, Hannover Medical School, Hannover, Germany.
Mintzas K; Department of Hematology, Hemostasis, Oncology and Stem Cell Transplantation, Hannover Medical School, Hannover, Germany.
Winckler L; Department of Hematology, Hemostasis, Oncology and Stem Cell Transplantation, Hannover Medical School, Hannover, Germany.
Gabdoulline R; Department of Hematology, Hemostasis, Oncology and Stem Cell Transplantation, Hannover Medical School, Hannover, Germany.
Alwie Y; Department of Hematology, Hemostasis, Oncology and Stem Cell Transplantation, Hannover Medical School, Hannover, Germany.
Jyotsana N; Department of Biomedical Engineering, Vanderbilt University, Nashville, TN, 37235, USA.
Kattre N; Department of Hematology, Hemostasis, Oncology and Stem Cell Transplantation, Hannover Medical School, Hannover, Germany.
Schottmann R; Department of Hematology, Hemostasis, Oncology and Stem Cell Transplantation, Hannover Medical School, Hannover, Germany.
Scherr M; Department of Hematology, Hemostasis, Oncology and Stem Cell Transplantation, Hannover Medical School, Hannover, Germany.
Gupta C; Department of Hematology, Hemostasis, Oncology and Stem Cell Transplantation, Hannover Medical School, Hannover, Germany.
Adams FF; Institute of Experimental Hematology, Hannover Medical School, Hannover, Germany.
Schwarzer A; Department of Hematology, Hemostasis, Oncology and Stem Cell Transplantation, Hannover Medical School, Hannover, Germany.; Institute of Experimental Hematology, Hannover Medical School, Hannover, Germany.
Heckl D; Pediatric Hematology and Oncology, Hannover Medical School, Hannover, Germany.; Department of Pediatric Hematology and Oncology, Martin-Luther-University Halle-Wittenberg, Halle, Germany.
Schambach A; Institute of Experimental Hematology, Hannover Medical School, Hannover, Germany.; Division of Hematology/Oncology, Boston Children's Hospital, Harvard Medical School, Boston, MA, USA.
Imren S; Department of Pediatrics, University of Washington, Seattle, WA, USA.
Humphries RK; Terry Fox Laboratory, British Columbia Cancer Agency, Vancouver, BC, Canada.; Department of Medicine, University of British Columbia, Vancouver, BC, Canada.
Ganser A; Department of Hematology, Hemostasis, Oncology and Stem Cell Transplantation, Hannover Medical School, Hannover, Germany.
Thol F; Department of Hematology, Hemostasis, Oncology and Stem Cell Transplantation, Hannover Medical School, Hannover, Germany.
Heuser M; Department of Hematology, Hemostasis, Oncology and Stem Cell Transplantation, Hannover Medical School, Hannover, Germany. .
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Źródło :
Leukemia [Leukemia] 2020 Nov; Vol. 34 (11), pp. 2951-2963. Date of Electronic Publication: 2020 Jun 24.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Drug Evaluation, Preclinical*/methods
Drug Evaluation, Preclinical*/standards
Xenograft Model Antitumor Assays*/methods
Antineoplastic Agents/*pharmacology
Leukemia, Myelomonocytic, Chronic/*drug therapy
Animals ; Antineoplastic Agents/administration & dosage ; Antineoplastic Agents/adverse effects ; Antineoplastic Combined Chemotherapy Protocols/adverse effects ; Antineoplastic Combined Chemotherapy Protocols/therapeutic use ; Azacitidine/pharmacology ; Clonal Evolution ; Disease Models, Animal ; Drug Synergism ; Female ; GTP Phosphohydrolases/genetics ; Humans ; Leukemia, Myelomonocytic, Chronic/genetics ; Leukemia, Myelomonocytic, Chronic/mortality ; Leukemia, Myelomonocytic, Chronic/pathology ; Membrane Proteins/genetics ; Mice ; Mutation ; Protein Kinase Inhibitors/pharmacology ; Protein Kinase Inhibitors/therapeutic use ; Pyridones/pharmacology ; Pyridones/therapeutic use ; Pyrimidinones/pharmacology ; Pyrimidinones/therapeutic use ; RNA, Small Interfering/genetics ; Receptor, Notch1/genetics
Czasopismo naukowe
Tytuł :
Computational study on natural compounds inhibitor of c-Myc.
Autorzy :
Ren J; Clinical College, Jilin University, Changchun.
Huangfu Y; Department of Medicine, Boston University.
Ge J; Clinical College, Jilin University, Changchun.
Wu B; Clinical College, Jilin University, Changchun.; Department of Orthopedics.
Li W; Department of Orthopaedics, Xijing Hospital, The Fourth Military Medical University, Xian, China.
Wang X; Clinical College, Jilin University, Changchun.; Department of Oncology, The First Hospital of Jilin University, Changchun.
Zhao L; Department of Clinical Laboratory, The Second Hospital of Jilin University.
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Źródło :
Medicine [Medicine (Baltimore)] 2020 Dec 11; Vol. 99 (50), pp. e23342.
Typ publikacji :
Journal Article
MeSH Terms :
Drug Evaluation, Preclinical*/methods
Molecular Dynamics Simulation*
Antineoplastic Agents/*pharmacology
Proto-Oncogene Proteins c-myc/*antagonists & inhibitors
Antineoplastic Agents/adverse effects ; Antineoplastic Agents/chemistry ; Antineoplastic Agents/pharmacokinetics ; Binding Sites ; Humans ; Molecular Docking Simulation ; Protein Conformation ; Proto-Oncogene Proteins c-myc/chemistry ; Small Molecule Libraries ; Structure-Activity Relationship
Czasopismo naukowe
Tytuł :
Pharmacological screening of the phenolic compound caffeic acid using rat aorta, uterus and ileum smooth muscle.
Autorzy :
de Alencar Silva A; Biological Sciences Department, Postgraduate Program in Molecular Bioprospecting, Regional University of Cariri, Pimenta Campus, 63105-010, Crato, CE, Brazil.
Pereira-de-Morais L; Biological Sciences Department, Postgraduate Program in Molecular Bioprospecting, Regional University of Cariri, Pimenta Campus, 63105-010, Crato, CE, Brazil. Electronic address: .
Rodrigues da Silva RE; Biological Chemistry Department, Postgraduate Program in Biological Chemistry, Regional University of Cariri, Pimenta Campus, 63105-010, Crato, CE, Brazil.
de Menezes Dantas D; Biological Chemistry Department, Postgraduate Program in Biological Chemistry, Regional University of Cariri, Pimenta Campus, 63105-010, Crato, CE, Brazil; Biological Sciences Department, Physiopharmacology of Excitable Cells Laboratory, Regional University of Cariri, Campus of Pimenta, 63105-010, Crato, CE, Brazil.
Brito Milfont CG; Biological Sciences Department, Physiopharmacology of Excitable Cells Laboratory, Regional University of Cariri, Campus of Pimenta, 63105-010, Crato, CE, Brazil.
Gomes MF; Biological Sciences Department, Physiopharmacology of Excitable Cells Laboratory, Regional University of Cariri, Campus of Pimenta, 63105-010, Crato, CE, Brazil.
Araújo IM; Biological Sciences Department, Physiopharmacology of Excitable Cells Laboratory, Regional University of Cariri, Campus of Pimenta, 63105-010, Crato, CE, Brazil.
Kerntopf MR; Biological Chemistry Department, Postgraduate Program in Biological Chemistry, Regional University of Cariri, Pimenta Campus, 63105-010, Crato, CE, Brazil.
Alencar de Menezes IR; Biological Chemistry Department, Postgraduate Program in Biological Chemistry, Regional University of Cariri, Pimenta Campus, 63105-010, Crato, CE, Brazil.
Barbosa R; Biological Chemistry Department, Postgraduate Program in Biological Chemistry, Regional University of Cariri, Pimenta Campus, 63105-010, Crato, CE, Brazil; Biological Sciences Department, Physiopharmacology of Excitable Cells Laboratory, Regional University of Cariri, Campus of Pimenta, 63105-010, Crato, CE, Brazil.
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Źródło :
Chemico-biological interactions [Chem Biol Interact] 2020 Dec 01; Vol. 332, pp. 109269. Date of Electronic Publication: 2020 Sep 28.
Typ publikacji :
Journal Article
MeSH Terms :
Drug Evaluation, Preclinical*
Aorta/*physiology
Caffeic Acids/*pharmacology
Ileum/*physiology
Muscle, Smooth/*physiology
Phenols/*pharmacology
Uterus/*physiology
Animals ; Aorta/drug effects ; Caffeic Acids/chemistry ; Calcium Channels, L-Type/metabolism ; Carbachol/pharmacology ; Female ; Ileum/drug effects ; Male ; Muscle Contraction/drug effects ; Muscle, Smooth/drug effects ; Oxytocin/pharmacology ; Phenols/chemistry ; Phenylephrine/pharmacology ; Potassium Chloride ; Rats, Wistar ; Uterus/drug effects
Czasopismo naukowe
Tytuł :
Design of novel viral attachment inhibitors of the spike glycoprotein (S) of severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) through virtual screening and dynamics.
Autorzy :
Oany AR; Department of Biotechnology and Genetic Engineering, Faculty of Life Science, Mawlana Bhashani Science and Technology University, Tangail-1902, Bangladesh; Aristopharma Limited, Bangladesh. Electronic address: .
Mia M; Department of Biotechnology and Genetic Engineering, Faculty of Life Science, Mawlana Bhashani Science and Technology University, Tangail-1902, Bangladesh; Department of Medical Biotechnology, Bangladesh University of Health Sciences, Dhaka, Bangladesh.
Pervin T; Biotechnology and Genetic Engineering Discipline, Life Science School, Khulna University, Khulna, Bangladesh.
Junaid M; Molecular Modeling Drug-design and Discovery Laboratory, Pharmacology Research Division, BCSIR Laboratories Chattogram, Bangladesh Council of Scientific and Industrial Research, Chattogram, Bangladesh.
Hosen SMZ; Molecular Modeling Drug-design and Discovery Laboratory, Pharmacology Research Division, BCSIR Laboratories Chattogram, Bangladesh Council of Scientific and Industrial Research, Chattogram, Bangladesh; Pancreatic Research Group, South Western Sydney Clinical School, and Ingham Institute for Applied Medical Research, Faculty of Medicine, University of New South Wales, Sydney, Australia.
Moni MA; WHO Collaborating Centre on eHealth, UNSW Digital Health, School of Public Health and Community Medicine, Faculty of Medicine, UNSW Sydney, Australia. Electronic address: .
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Źródło :
International journal of antimicrobial agents [Int J Antimicrob Agents] 2020 Dec; Vol. 56 (6), pp. 106177. Date of Electronic Publication: 2020 Sep 25.
Typ publikacji :
Journal Article
MeSH Terms :
Drug Design*
Drug Evaluation, Preclinical*
Antiviral Agents/*pharmacology
SARS-CoV-2/*drug effects
Spike Glycoprotein, Coronavirus/*antagonists & inhibitors
Virus Attachment/*drug effects
COVID-19/drug therapy ; Catalytic Domain ; Humans ; Molecular Dynamics Simulation ; Phylogeny ; Spike Glycoprotein, Coronavirus/chemistry
Czasopismo naukowe
Tytuł :
An online repository of solvation thermodynamic and structural maps of SARS-CoV-2 targets.
Autorzy :
Olson B; Ph.D. Program in Biochemistry, The Graduate Center of the City University of New York, 365 5th Avenue, New York, NY, 10016, USA.; Department of Biology and Chemistry, County College of Morris, 214 Center Grove Rd, Randolph, NJ, 07869, USA.
Cruz A; Lehman College Department of Chemistry, 205 W Bedford Park Blvd, Bronx, NY, 10468, USA.; Ph.D. Program in Chemistry, The Graduate Center of the City University of New York, 365 5th Avenue, New York, NY, 10016, USA.
Chen L; Lehman College Department of Chemistry, 205 W Bedford Park Blvd, Bronx, NY, 10468, USA.; Ph.D. Program in Biochemistry, The Graduate Center of the City University of New York, 365 5th Avenue, New York, NY, 10016, USA.
Ghattas M; Lehman College Department of Chemistry, 205 W Bedford Park Blvd, Bronx, NY, 10468, USA.; Ph.D. Program in Chemistry, The Graduate Center of the City University of New York, 365 5th Avenue, New York, NY, 10016, USA.
Ji Y; Lehman College Department of Chemistry, 205 W Bedford Park Blvd, Bronx, NY, 10468, USA.; Ph.D. Program in Biochemistry, The Graduate Center of the City University of New York, 365 5th Avenue, New York, NY, 10016, USA.
Huang K; Lehman College Department of Chemistry, 205 W Bedford Park Blvd, Bronx, NY, 10468, USA.; Ph.D. Program in Biochemistry, The Graduate Center of the City University of New York, 365 5th Avenue, New York, NY, 10016, USA.
Ayoub S Jr; Department of Chemistry and Biochemistry, California State University, Northridge, 18111 Nordhoff Street, Northridge, CA, 91330, USA.
Luchko T; Department of Physics and Astronomy, Center for Biological Physics, California State University, Northridge, 18111 Nordhoff Street, Northridge, CA, 91330, USA.
McKay DJ; Ventus Therapeutics, Frederick-Banting, Montreal, QC, H9S 2A1, Canada.
Kurtzman T; Lehman College Department of Chemistry, 205 W Bedford Park Blvd, Bronx, NY, 10468, USA. .; Ph.D. Program in Chemistry, The Graduate Center of the City University of New York, 365 5th Avenue, New York, NY, 10016, USA. .; Ph.D. Program in Biochemistry, The Graduate Center of the City University of New York, 365 5th Avenue, New York, NY, 10016, USA. .
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Źródło :
Journal of computer-aided molecular design [J Comput Aided Mol Des] 2020 Dec; Vol. 34 (12), pp. 1219-1228. Date of Electronic Publication: 2020 Sep 12.
Typ publikacji :
Journal Article; Research Support, N.I.H., Extramural; Research Support, U.S. Gov't, Non-P.H.S.
MeSH Terms :
Drug Design*
Drug Evaluation, Preclinical*
Models, Chemical*
Molecular Dynamics Simulation*
Molecular Targeted Therapy*
Pandemics*
Thermodynamics*
Antiviral Agents/*pharmacology
Betacoronavirus/*drug effects
Coronavirus Infections/*drug therapy
Pneumonia, Viral/*drug therapy
Viral Nonstructural Proteins/*drug effects
Antiviral Agents/chemistry ; Betacoronavirus/chemistry ; Binding Sites ; COVID-19 ; Catalytic Domain ; Humans ; Ligands ; Models, Molecular ; Protein Conformation ; SARS-CoV-2 ; Small Molecule Libraries ; Structure-Activity Relationship ; Viral Nonstructural Proteins/chemistry ; Water
SCR Protocol :
COVID-19 drug treatment
Czasopismo naukowe
Tytuł :
Conserved interactions required for inhibition of the main protease of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2).
Autorzy :
Shitrit A; The Department of Clinical Microbiology and Immunology, Sackler School of Medicine, Tel-Aviv University, 69978, Tel Aviv, Israel.
Zaidman D; Department of Organic Chemistry, Weizmann Institute of Science, Rehovot, Israel.
Kalid O; Pardes Hana, Israel.
Bloch I; Biotechnology Department, Migal - Galilee Research Institute, Kiryat-Shmona, Israel.
Doron D; Chemical & Computational Toxicology, Non-Clinical Development, Global R&D, Teva Pharmaceutical Industries Ltd., Netanya, Israel.
Yarnizky T; Tali Yarnizky Scientific Consulting, Maccabim-Reut, Israel.
Buch I; Emendo Biotherapeutics Ltd., Ness Ziona, Israel.
Segev I; Rishon-LeZion, Israel.
Ben-Zeev E; The Nancy and Stephen Grand Israel National Center for Personalized Medicine, Weizmann Institute of Science, Rehovot, Israel.
Segev E; Department of Applied Mathematics, Faculty of Science, Holon Institute of Technology, Holon, Israel.
Kobiler O; The Department of Clinical Microbiology and Immunology, Sackler School of Medicine, Tel-Aviv University, 69978, Tel Aviv, Israel. .
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Źródło :
Scientific reports [Sci Rep] 2020 Nov 30; Vol. 10 (1), pp. 20808. Date of Electronic Publication: 2020 Nov 30.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Drug Evaluation, Preclinical*
Antiviral Agents/*pharmacology
COVID-19/*drug therapy
Coronavirus 3C Proteases/*antagonists & inhibitors
Protease Inhibitors/*pharmacology
Amino Acid Sequence ; Catalytic Domain/drug effects ; Coronavirus 3C Proteases/metabolism ; Drug Design ; Drug Discovery ; Humans ; Models, Molecular ; Molecular Docking Simulation ; SARS Virus/drug effects ; SARS Virus/enzymology ; SARS-CoV-2/drug effects ; SARS-CoV-2/enzymology ; Viral Nonstructural Proteins/antagonists & inhibitors ; Viral Nonstructural Proteins/metabolism
Czasopismo naukowe
Tytuł :
Brighton Collaboration Viral Vector Vaccines Safety Working Group (V3SWG) standardized template for collection of key information for benefit-risk assessment of live-attenuated viral vaccines.
Autorzy :
Gurwith M; Brighton Collaboration, A Program of the Task Force for Global Health, Decatur, GA, USA.
Condit RC; Department of Molecular Genetics and Microbiology, University of Florida, Gainesville, FL, USA.
Excler JL; International Vaccine Institute, Seoul, Republic of Korea.
Robertson JS; Independent Adviser, United Kingdom.
Kim D; Janssen Pharmaceuticals, Titusville, NJ, USA.
Fast PE; International AIDS Vaccine Initiative, New York, NY, USA; Stanford School of Medicine, Paolo Alto, CA, USA.
Drew S; Independent Adviser, USA.
Wood D; Independent Adviser, United Kingdom.
Klug B; Paul-Ehrlich-Institut, Federal Institute for Vaccines and Biomedicines, Langen, Germany.
Whelan M; Project Leader, CEPI, UK.
Mallett Moore T; Sanofi Pasteur, Swiftwater, PA, USA.
Khuri-Bulos N; University of Jordan, Amman, Jordan.
Smith ER; Brighton Collaboration, A Program of the Task Force for Global Health, Decatur, GA, USA. Electronic address: .
Chen RT; Brighton Collaboration, A Program of the Task Force for Global Health, Decatur, GA, USA.
Kochhar S; Global Healthcare Consulting, New Delhi, India; University of Washington, Seattle, WA, USA.
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Corporate Authors :
Brighton Collaboration Viral Vector Vaccines Safety Working Group V3SWG
Źródło :
Vaccine [Vaccine] 2020 Nov 17; Vol. 38 (49), pp. 7702-7707. Date of Electronic Publication: 2020 Oct 16.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't; Review
MeSH Terms :
Drug Evaluation, Preclinical/*standards
Vaccines, Attenuated/*adverse effects
Viral Vaccines/*adverse effects
COVID-19 Vaccines/adverse effects ; COVID-19 Vaccines/pharmacology ; Drug Evaluation, Preclinical/methods ; Humans ; Risk Assessment ; Societies, Scientific ; Vaccines, Attenuated/pharmacology ; Viral Vaccines/pharmacology
Czasopismo naukowe
Tytuł :
Searching for target-specific and multi-targeting organics for Covid-19 in the Drugbank database with a double scoring approach.
Autorzy :
Murugan NA; Department of Theoretical Chemistry and Biology, School of Chemistry, Biotechnology and Health, KTH Royal Institute of Technology, 106 91, Stockholm, Sweden. .
Kumar S; Division of Glycoscience, Department of Chemistry, School of Chemistry, Biotechnology and Health, KTH Royal Institute of Technology, Stockholm, Sweden.
Jeyakanthan J; Department of Bioinformatics, Alagappa University, Karaikudi, Tamilnadu, India.
Srivastava V; Division of Glycoscience, Department of Chemistry, School of Chemistry, Biotechnology and Health, KTH Royal Institute of Technology, Stockholm, Sweden. .
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Źródło :
Scientific reports [Sci Rep] 2020 Nov 05; Vol. 10 (1), pp. 19125. Date of Electronic Publication: 2020 Nov 05.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Databases, Pharmaceutical*
Molecular Targeted Therapy*
Coronavirus Infections/*drug therapy
Drug Evaluation, Preclinical/*methods
Pneumonia, Viral/*drug therapy
COVID-19 ; Coronavirus 3C Proteases ; Cost-Benefit Analysis ; Cysteine Endopeptidases/chemistry ; Cysteine Endopeptidases/metabolism ; Drug Evaluation, Preclinical/economics ; Humans ; Molecular Docking Simulation ; Pandemics ; Protein Conformation ; Viral Nonstructural Proteins/antagonists & inhibitors ; Viral Nonstructural Proteins/chemistry ; Viral Nonstructural Proteins/metabolism
Czasopismo naukowe
Tytuł :
Computational screening of natural and natural-like compounds to identify novel ligands for sigma-2 receptor.
Autorzy :
Alamri MA; Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University , Al-Kharj, Saudi Arabia.
Afzal O; Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University , Al-Kharj, Saudi Arabia.
Alamri MA; Department of Pharmacology, College of Pharmacy, Prince Sattam Bin Abdulaziz University , Al-Kharj, Saudi Arabia.
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Źródło :
SAR and QSAR in environmental research [SAR QSAR Environ Res] 2020 Nov; Vol. 31 (11), pp. 837-856.
Typ publikacji :
Journal Article
MeSH Terms :
Drug Evaluation, Preclinical*
Ligands*
Quantitative Structure-Activity Relationship*
Receptors, sigma/*chemistry
Computational Chemistry ; Humans
Czasopismo naukowe
Tytuł :
Association between FDA and EMA expedited approval programs and therapeutic value of new medicines: retrospective cohort study.
Autorzy :
Hwang TJ; Program on Regulation, Therapeutics, and Law (PORTAL), Division of Pharmacoepidemiology and Pharmacoeconomics, Department of Medicine, Brigham and Women's Hospital and Harvard Medical School, Boston, MA, USA .; Laboratory for Technology, Markets and Regulation, University of Zurich, Zurich, Switzerland.
Ross JS; Section of General Internal Medicine, Department of Medicine, Yale University School of Medicine, New Haven, CT, USA.; Department of Health Policy and Management, Yale University School of Public Health, New Haven, CT, USA.; Center for Outcomes Research and Evaluation, Yale-New Haven Hospital, New Haven, CT, USA.
Vokinger KN; Laboratory for Technology, Markets and Regulation, University of Zurich, Zurich, Switzerland.; Institute of Law, University of Zurich, Zurich, Switzerland.
Kesselheim AS; Program on Regulation, Therapeutics, and Law (PORTAL), Division of Pharmacoepidemiology and Pharmacoeconomics, Department of Medicine, Brigham and Women's Hospital and Harvard Medical School, Boston, MA, USA.
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Źródło :
BMJ (Clinical research ed.) [BMJ] 2020 Oct 07; Vol. 371, pp. m3434. Date of Electronic Publication: 2020 Oct 07.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Drug Approval*/methods
Drug Approval*/statistics & numerical data
Drug Evaluation*/methods
Drug Evaluation*/statistics & numerical data
Drug Information Services*/organization & administration
Drug Information Services*/standards
Drug Information Services*/statistics & numerical data
Information Dissemination*
Product Surveillance, Postmarketing*/methods
Product Surveillance, Postmarketing*/statistics & numerical data
Europe ; Humans ; Program Development ; Quality Improvement ; Retrospective Studies ; United States
Czasopismo naukowe
Tytuł :
A combined high-throughput and high-content platform for unified on-chip synthesis, characterization and biological screening.
Autorzy :
Benz M; Karlsruhe Institute of Technology (KIT), Institute of Biological and Chemical Systems-Functional Molecular Systems (IBCS-FMS), Hermann-von-Helmholtz-Platz 1, 76344, Eggenstein-Leopoldshafen, Germany.
Asperger A; Bruker Daltonik GmbH, Fahrenheitstraße 4, 28359, Bremen, Germany.
Hamester M; Bruker Daltonik GmbH, Fahrenheitstraße 4, 28359, Bremen, Germany.
Welle A; Karlsruhe Institute of Technology (KIT), Institute of Functional Interfaces (IFG), Hermann-von-Helmholtz-Platz 1, 76344, Eggenstein-Leopoldshafen, Germany.
Heissler S; Karlsruhe Institute of Technology (KIT), Institute of Functional Interfaces (IFG), Hermann-von-Helmholtz-Platz 1, 76344, Eggenstein-Leopoldshafen, Germany.
Levkin PA; Karlsruhe Institute of Technology (KIT), Institute of Biological and Chemical Systems-Functional Molecular Systems (IBCS-FMS), Hermann-von-Helmholtz-Platz 1, 76344, Eggenstein-Leopoldshafen, Germany. .; Karlsruhe Institute of Technology (KIT), Institute of Organic Chemistry (IOC), Kaiserstraße 12, 76131, Karlsruhe, Germany. .
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Źródło :
Nature communications [Nat Commun] 2020 Oct 26; Vol. 11 (1), pp. 5391. Date of Electronic Publication: 2020 Oct 26.
Typ publikacji :
Evaluation Study; Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Drug Evaluation, Preclinical/*methods
High-Throughput Screening Assays/*methods
Cell Line ; Cell Survival/drug effects ; Dendrimers/chemistry ; Drug Evaluation, Preclinical/instrumentation ; High-Throughput Screening Assays/instrumentation ; Humans ; Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization ; Tin Compounds/chemistry
Czasopismo naukowe
Tytuł :
Spectrophotometric Screening for Potential Inhibitors of Cytosolic Glutathione S-Transferases.
Autorzy :
Robin SKD; Research platform of Pediatric Onco-Hematology, Department of Paediatrics, Gynaecology and Obstetrics, Faculty of Medicine, University of Geneva; Section of Biology, Faculty of Science, University of Geneva.
Ansari M; Research platform of Pediatric Onco-Hematology, Department of Paediatrics, Gynaecology and Obstetrics, Faculty of Medicine, University of Geneva; Onco-Hematology Unit, Department of Women, Children-Adolescents, University Hospitals of Geneva; .
Uppugunduri CRS; Research platform of Pediatric Onco-Hematology, Department of Paediatrics, Gynaecology and Obstetrics, Faculty of Medicine, University of Geneva; Onco-Hematology Unit, Department of Women, Children-Adolescents, University Hospitals of Geneva; .
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Źródło :
Journal of visualized experiments : JoVE [J Vis Exp] 2020 Oct 10 (164). Date of Electronic Publication: 2020 Oct 10.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't; Video-Audio Media
MeSH Terms :
Drug Evaluation, Preclinical*
Cytosol/*enzymology
Enzyme Inhibitors/*analysis
Enzyme Inhibitors/*pharmacology
Glutathione Transferase/*antagonists & inhibitors
Spectrophotometry/*methods
Animals ; Curcumin/pharmacology ; Dinitrobenzenes/metabolism ; Ethacrynic Acid/pharmacology ; Glutathione/metabolism ; Glutathione Transferase/metabolism ; Horses ; Inhibitory Concentration 50 ; Isoenzymes/metabolism ; Kinetics ; Liver/enzymology ; Substrate Specificity/drug effects
Czasopismo naukowe
Tytuł :
Discovery of SARS-CoV-2 antiviral drugs through large-scale compound repurposing.
Autorzy :
Riva L; Immunity and Pathogenesis Program, Infectious and Inflammatory Disease Center, Sanford Burnham Prebys Medical Discovery Institute, La Jolla, CA, USA.
Yuan S; State Key Laboratory of Emerging Infectious Diseases, Li Ka Shing Faculty of Medicine, The University of Hong Kong, Hong Kong Special Administrative Region, Hong Kong, China.; Department of Microbiology, Li Ka Shing Faculty of Medicine, The University of Hong Kong, Hong Kong Special Administrative Region, Hong Kong, China.; Carol Yu Centre for Infection, Li Ka Shing Faculty of Medicine, The University of Hong Kong, Hong Kong Special Administrative Region, Hong Kong, China.
Yin X; Immunity and Pathogenesis Program, Infectious and Inflammatory Disease Center, Sanford Burnham Prebys Medical Discovery Institute, La Jolla, CA, USA.
Martin-Sancho L; Immunity and Pathogenesis Program, Infectious and Inflammatory Disease Center, Sanford Burnham Prebys Medical Discovery Institute, La Jolla, CA, USA.
Matsunaga N; Immunity and Pathogenesis Program, Infectious and Inflammatory Disease Center, Sanford Burnham Prebys Medical Discovery Institute, La Jolla, CA, USA.
Pache L; Immunity and Pathogenesis Program, Infectious and Inflammatory Disease Center, Sanford Burnham Prebys Medical Discovery Institute, La Jolla, CA, USA.
Burgstaller-Muehlbacher S; Center for Integrative Bioinformatics Vienna, Max Perutz Laboratories, University of Vienna and Medical University of Vienna, Vienna, Austria.
De Jesus PD; Immunity and Pathogenesis Program, Infectious and Inflammatory Disease Center, Sanford Burnham Prebys Medical Discovery Institute, La Jolla, CA, USA.
Teriete P; Immunity and Pathogenesis Program, Infectious and Inflammatory Disease Center, Sanford Burnham Prebys Medical Discovery Institute, La Jolla, CA, USA.
Hull MV; Calibr at Scripps Research, La Jolla, CA, USA.
Chang MW; Department of Medicine, University of California, San Diego, La Jolla, CA, USA.
Chan JF; State Key Laboratory of Emerging Infectious Diseases, Li Ka Shing Faculty of Medicine, The University of Hong Kong, Hong Kong Special Administrative Region, Hong Kong, China.; Department of Microbiology, Li Ka Shing Faculty of Medicine, The University of Hong Kong, Hong Kong Special Administrative Region, Hong Kong, China.; Carol Yu Centre for Infection, Li Ka Shing Faculty of Medicine, The University of Hong Kong, Hong Kong Special Administrative Region, Hong Kong, China.
Cao J; State Key Laboratory of Emerging Infectious Diseases, Li Ka Shing Faculty of Medicine, The University of Hong Kong, Hong Kong Special Administrative Region, Hong Kong, China.; Department of Microbiology, Li Ka Shing Faculty of Medicine, The University of Hong Kong, Hong Kong Special Administrative Region, Hong Kong, China.; Carol Yu Centre for Infection, Li Ka Shing Faculty of Medicine, The University of Hong Kong, Hong Kong Special Administrative Region, Hong Kong, China.
Poon VK; State Key Laboratory of Emerging Infectious Diseases, Li Ka Shing Faculty of Medicine, The University of Hong Kong, Hong Kong Special Administrative Region, Hong Kong, China.; Department of Microbiology, Li Ka Shing Faculty of Medicine, The University of Hong Kong, Hong Kong Special Administrative Region, Hong Kong, China.; Carol Yu Centre for Infection, Li Ka Shing Faculty of Medicine, The University of Hong Kong, Hong Kong Special Administrative Region, Hong Kong, China.
Herbert KM; Immunity and Pathogenesis Program, Infectious and Inflammatory Disease Center, Sanford Burnham Prebys Medical Discovery Institute, La Jolla, CA, USA.
Cheng K; Cancer Data Science Laboratory, Center for Cancer Research, National Cancer Institute, National Institute of Health, Bethesda, MD, USA.; Biological Sciences Graduate Program, University of Maryland, College Park, MD, USA.
Nguyen TH; Calibr at Scripps Research, La Jolla, CA, USA.
Rubanov A; Immunity and Pathogenesis Program, Infectious and Inflammatory Disease Center, Sanford Burnham Prebys Medical Discovery Institute, La Jolla, CA, USA.
Pu Y; Immunity and Pathogenesis Program, Infectious and Inflammatory Disease Center, Sanford Burnham Prebys Medical Discovery Institute, La Jolla, CA, USA.
Nguyen C; Immunity and Pathogenesis Program, Infectious and Inflammatory Disease Center, Sanford Burnham Prebys Medical Discovery Institute, La Jolla, CA, USA.
Choi A; Department of Microbiology, Icahn School of Medicine at Mount Sinai, New York, NY, USA.; Global Health and Emerging Pathogens Institute, Icahn School of Medicine at Mount Sinai, New York, NY, USA.; Graduate School of Biomedical Sciences, Icahn School of Medicine at Mount Sinai, New York, New York, USA.
Rathnasinghe R; Department of Microbiology, Icahn School of Medicine at Mount Sinai, New York, NY, USA.; Global Health and Emerging Pathogens Institute, Icahn School of Medicine at Mount Sinai, New York, NY, USA.; Graduate School of Biomedical Sciences, Icahn School of Medicine at Mount Sinai, New York, New York, USA.
Schotsaert M; Department of Microbiology, Icahn School of Medicine at Mount Sinai, New York, NY, USA.; Global Health and Emerging Pathogens Institute, Icahn School of Medicine at Mount Sinai, New York, NY, USA.
Miorin L; Department of Microbiology, Icahn School of Medicine at Mount Sinai, New York, NY, USA.; Global Health and Emerging Pathogens Institute, Icahn School of Medicine at Mount Sinai, New York, NY, USA.
Dejosez M; Huffington Foundation Center for Cell-based Research in Parkinson's Disease, Department for Cell, Regenerative and Developmental Biology, Black Family Stem Cell Institute, Icahn School of Medicine at Mount Sinai, New York, NY, USA.
Zwaka TP; Huffington Foundation Center for Cell-based Research in Parkinson's Disease, Department for Cell, Regenerative and Developmental Biology, Black Family Stem Cell Institute, Icahn School of Medicine at Mount Sinai, New York, NY, USA.
Sit KY; Department of Surgery, Li Ka Shing Faculty of Medicine, The University of Hong Kong, Hong Kong Special Administrative Region, Hong Kong, China.
Martinez-Sobrido L; Texas Biomedical Research Institute, San Antonio, TX, USA.
Liu WC; Department of Microbiology, Icahn School of Medicine at Mount Sinai, New York, NY, USA.; Global Health and Emerging Pathogens Institute, Icahn School of Medicine at Mount Sinai, New York, NY, USA.
White KM; Department of Microbiology, Icahn School of Medicine at Mount Sinai, New York, NY, USA.; Global Health and Emerging Pathogens Institute, Icahn School of Medicine at Mount Sinai, New York, NY, USA.
Chapman ME; Department of Biological Sciences, Purdue University, West Lafayette, IN, USA.
Lendy EK; Department of Biochemistry, Purdue University, West Lafayette, IN, USA.
Glynne RJ; Inception Therapeutics, San Diego, CA, USA.
Albrecht R; Department of Microbiology, Icahn School of Medicine at Mount Sinai, New York, NY, USA.; Global Health and Emerging Pathogens Institute, Icahn School of Medicine at Mount Sinai, New York, NY, USA.
Ruppin E; Cancer Data Science Laboratory, Center for Cancer Research, National Cancer Institute, National Institute of Health, Bethesda, MD, USA.
Mesecar AD; Department of Biological Sciences, Purdue University, West Lafayette, IN, USA.; Department of Biochemistry, Purdue University, West Lafayette, IN, USA.
Johnson JR; Department of Microbiology, Icahn School of Medicine at Mount Sinai, New York, NY, USA.
Benner C; Department of Medicine, University of California, San Diego, La Jolla, CA, USA.
Sun R; Department of Molecular and Medical Pharmacology, University of California, Los Angeles, CA, USA.
Schultz PG; Calibr at Scripps Research, La Jolla, CA, USA.
Su AI; Department of Integrative, Structural and Computational Biology, The Scripps Research Institute, La Jolla, CA, USA.
García-Sastre A; Department of Microbiology, Icahn School of Medicine at Mount Sinai, New York, NY, USA.; Global Health and Emerging Pathogens Institute, Icahn School of Medicine at Mount Sinai, New York, NY, USA.; Department of Medicine, Division of Infectious Diseases, Icahn School of Medicine at Mount Sinai, New York, NY, USA.; The Tisch Cancer Institute, Icahn School of Medicine at Mount Sinai, New York, NY, USA.
Chatterjee AK; Calibr at Scripps Research, La Jolla, CA, USA. .
Yuen KY; State Key Laboratory of Emerging Infectious Diseases, Li Ka Shing Faculty of Medicine, The University of Hong Kong, Hong Kong Special Administrative Region, Hong Kong, China. .; Department of Microbiology, Li Ka Shing Faculty of Medicine, The University of Hong Kong, Hong Kong Special Administrative Region, Hong Kong, China. .; Carol Yu Centre for Infection, Li Ka Shing Faculty of Medicine, The University of Hong Kong, Hong Kong Special Administrative Region, Hong Kong, China. .
Chanda SK; Immunity and Pathogenesis Program, Infectious and Inflammatory Disease Center, Sanford Burnham Prebys Medical Discovery Institute, La Jolla, CA, USA. .
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Źródło :
Nature [Nature] 2020 Oct; Vol. 586 (7827), pp. 113-119. Date of Electronic Publication: 2020 Jul 24.
Typ publikacji :
Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't
MeSH Terms :
Drug Evaluation, Preclinical*
Drug Repositioning*
Antiviral Agents/*analysis
Antiviral Agents/*pharmacology
Betacoronavirus/*drug effects
Coronavirus Infections/*drug therapy
Coronavirus Infections/*virology
Pneumonia, Viral/*drug therapy
Pneumonia, Viral/*virology
Adenosine Monophosphate/analogs & derivatives ; Adenosine Monophosphate/pharmacology ; Alanine/analogs & derivatives ; Alanine/pharmacology ; Alveolar Epithelial Cells/cytology ; Alveolar Epithelial Cells/drug effects ; Betacoronavirus/growth & development ; COVID-19 ; Cell Line ; Cysteine Proteinase Inhibitors/analysis ; Cysteine Proteinase Inhibitors/pharmacology ; Dose-Response Relationship, Drug ; Drug Synergism ; Gene Expression Regulation/drug effects ; Humans ; Hydrazones ; Induced Pluripotent Stem Cells/cytology ; Models, Biological ; Morpholines/analysis ; Morpholines/pharmacology ; Pandemics ; Pyrimidines ; Reproducibility of Results ; SARS-CoV-2 ; Small Molecule Libraries/analysis ; Small Molecule Libraries/pharmacology ; Triazines/analysis ; Triazines/pharmacology ; Virus Internalization/drug effects ; Virus Replication/drug effects
SCR Protocol :
COVID-19 drug treatment
Czasopismo naukowe
Tytuł :
Virtual screening of approved drugs as potential SARS-CoV-2 main protease inhibitors.
Autorzy :
Jiménez-Alberto A; Programa de Posgrado en Biomedicina y Biotecnología Molecular, Escuela Nacional de Ciencias Biológicas, Instituto Politécnico Nacional, Ciudad de México, Mexico. Electronic address: .
Ribas-Aparicio RM; Programa de Posgrado en Biomedicina y Biotecnología Molecular, Escuela Nacional de Ciencias Biológicas, Instituto Politécnico Nacional, Ciudad de México, Mexico. Electronic address: .
Aparicio-Ozores G; Programa de Posgrado en Biomedicina y Biotecnología Molecular, Escuela Nacional de Ciencias Biológicas, Instituto Politécnico Nacional, Ciudad de México, Mexico. Electronic address: .
Castelán-Vega JA; Programa de Posgrado en Biomedicina y Biotecnología Molecular, Escuela Nacional de Ciencias Biológicas, Instituto Politécnico Nacional, Ciudad de México, Mexico. Electronic address: .
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Źródło :
Computational biology and chemistry [Comput Biol Chem] 2020 Oct; Vol. 88, pp. 107325. Date of Electronic Publication: 2020 Jun 25.
Typ publikacji :
Journal Article
MeSH Terms :
Drug Evaluation, Preclinical*
Drug Repositioning*
Betacoronavirus/*enzymology
Coronavirus Infections/*drug therapy
Pneumonia, Viral/*drug therapy
Protease Inhibitors/*pharmacology
Viral Nonstructural Proteins/*antagonists & inhibitors
Antiviral Agents/chemistry ; Antiviral Agents/pharmacology ; Betacoronavirus/drug effects ; COVID-19 ; Coronavirus 3C Proteases ; Cysteine Endopeptidases/chemistry ; Cysteine Endopeptidases/metabolism ; Humans ; Molecular Dynamics Simulation ; Pandemics ; Protease Inhibitors/chemistry ; Protein Conformation ; SARS-CoV-2 ; Viral Nonstructural Proteins/chemistry ; Viral Nonstructural Proteins/metabolism
Czasopismo naukowe
Tytuł :
A defined structural unit enables de novo design of small-molecule-binding proteins.
Autorzy :
Polizzi NF; Department of Pharmaceutical Chemistry, Cardiovascular Research Institute, University of California, San Francisco, San Francisco, CA 94158, USA. .
DeGrado WF; Department of Pharmaceutical Chemistry, Cardiovascular Research Institute, University of California, San Francisco, San Francisco, CA 94158, USA. .
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Źródło :
Science (New York, N.Y.) [Science] 2020 Sep 04; Vol. 369 (6508), pp. 1227-1233.
Typ publikacji :
Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't
MeSH Terms :
Drug Evaluation, Preclinical*
Protein Engineering*
Proteins/*chemistry
Small Molecule Libraries/*chemistry
Fibrinolytic Agents/chemistry ; Protein Binding ; Protein Structure, Secondary ; Proteins/genetics ; Pyrazoles/chemistry ; Pyridones/chemistry
Czasopismo naukowe
Tytuł :
Deep Learning Based Drug Screening for Novel Coronavirus 2019-nCov.
Autorzy :
Zhang H; Center for High Performance Computing, Joint Engineering Research Center for Health Big Data Intelligent Analysis Technology, Shenzhen Institutes of Advanced Technology, Chinese Academy of Sciences, Shenzhen, Guangdong, 518055, People's Republic of China.
Saravanan KM; Center for High Performance Computing, Joint Engineering Research Center for Health Big Data Intelligent Analysis Technology, Shenzhen Institutes of Advanced Technology, Chinese Academy of Sciences, Shenzhen, Guangdong, 518055, People's Republic of China.
Yang Y; Shenzhen Key Laboratory of Pathogen and Immunity, Guangdong Key Laboratory for Diagnosis and Treatment of Emerging Infectious Diseases, State Key Discipline of Infectious Disease, Second Hospital Affiliated to Southern University of Science and Technology, Shenzhen Third People's Hospital, Shenzhen, 518112, People's Republic of China.
Hossain MT; Center for High Performance Computing, Joint Engineering Research Center for Health Big Data Intelligent Analysis Technology, Shenzhen Institutes of Advanced Technology, Chinese Academy of Sciences, Shenzhen, Guangdong, 518055, People's Republic of China.; University of Chinese Academy of Sciences, No. 19(A) Yuquan Road, Shijingshan District, Beijing, 100049, People's Republic of China.
Li J; Shenzhen Laboratory of Human Antibody Engineering, Institute of Biomedicine and Biotechnology, Shenzhen Institutes of Advanced Technology, Chinese Academy of Sciences, 1068 Xueyuan Boulevard, University City of Shenzhen, XiliNanshan, Shenzhen, 518055, People's Republic of China.
Ren X; Institute of Toxicology, Shenzhen Center for Disease Control and Prevention, No 8 Longyuan Road, Nanshan District, Shenzhen, 518055, China.
Pan Y; Department of Computer Science, Georgia State University, Atlanta, 30302-5060, USA.
Wei Y; Center for High Performance Computing, Joint Engineering Research Center for Health Big Data Intelligent Analysis Technology, Shenzhen Institutes of Advanced Technology, Chinese Academy of Sciences, Shenzhen, Guangdong, 518055, People's Republic of China. .
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Źródło :
Interdisciplinary sciences, computational life sciences [Interdiscip Sci] 2020 Sep; Vol. 12 (3), pp. 368-376. Date of Electronic Publication: 2020 Jun 01.
Typ publikacji :
Journal Article
MeSH Terms :
Deep Learning*
Antiviral Agents/*pharmacology
Betacoronavirus/*drug effects
Coronavirus Infections/*drug therapy
Coronavirus Infections/*virology
Drug Evaluation, Preclinical/*methods
Pneumonia, Viral/*drug therapy
Pneumonia, Viral/*virology
Viral Nonstructural Proteins/*antagonists & inhibitors
Amino Acid Sequence ; Antiviral Agents/chemistry ; Betacoronavirus/genetics ; COVID-19 ; Catalytic Domain ; Coronavirus 3C Proteases ; Coronavirus Infections/epidemiology ; Cysteine Endopeptidases/chemistry ; Cysteine Endopeptidases/genetics ; Databases, Nucleic Acid ; Databases, Pharmaceutical ; Drug Design ; Drug Evaluation, Preclinical/statistics & numerical data ; Humans ; Ligands ; Models, Molecular ; Molecular Dynamics Simulation ; Oligopeptides/chemistry ; Oligopeptides/pharmacology ; Pandemics ; Pneumonia, Viral/epidemiology ; SARS-CoV-2 ; Sequence Alignment ; Structural Homology, Protein ; User-Computer Interface ; Viral Nonstructural Proteins/chemistry ; Viral Nonstructural Proteins/genetics
Czasopismo naukowe
Tytuł :
Precise separation of lysine-specific demethylase 1 inhibitors from Corydalis yanhusuo using multi-mode counter-current chromatography guided by virtual screening.
Autorzy :
Lin Y; State Key Laboratory of Natural Medicines, Jiangsu Key Laboratory of Bioactive Natural Product Research, School of Traditional Chinese Pharmacy, China Pharmaceutical University, 24 Tong Jia Xiang, Nanjing 210009, PR China.
Luo J; State Key Laboratory of Natural Medicines, Jiangsu Key Laboratory of Bioactive Natural Product Research, School of Traditional Chinese Pharmacy, China Pharmaceutical University, 24 Tong Jia Xiang, Nanjing 210009, PR China.
Li L; State Key Laboratory of Natural Medicines, Jiangsu Key Laboratory of Bioactive Natural Product Research, School of Traditional Chinese Pharmacy, China Pharmaceutical University, 24 Tong Jia Xiang, Nanjing 210009, PR China.
Liu X; State Key Laboratory of Natural Medicines, Jiangsu Key Laboratory of Bioactive Natural Product Research, School of Traditional Chinese Pharmacy, China Pharmaceutical University, 24 Tong Jia Xiang, Nanjing 210009, PR China.
Wang W; State Key Laboratory of Natural Medicines, Jiangsu Key Laboratory of Bioactive Natural Product Research, School of Traditional Chinese Pharmacy, China Pharmaceutical University, 24 Tong Jia Xiang, Nanjing 210009, PR China.
Zhu L; State Key Laboratory of Natural Medicines, Jiangsu Key Laboratory of Bioactive Natural Product Research, School of Traditional Chinese Pharmacy, China Pharmaceutical University, 24 Tong Jia Xiang, Nanjing 210009, PR China.
Han C; State Key Laboratory of Natural Medicines, Jiangsu Key Laboratory of Bioactive Natural Product Research, School of Traditional Chinese Pharmacy, China Pharmaceutical University, 24 Tong Jia Xiang, Nanjing 210009, PR China. Electronic address: .
Kong L; State Key Laboratory of Natural Medicines, Jiangsu Key Laboratory of Bioactive Natural Product Research, School of Traditional Chinese Pharmacy, China Pharmaceutical University, 24 Tong Jia Xiang, Nanjing 210009, PR China. Electronic address: .
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Źródło :
Journal of chromatography. A [J Chromatogr A] 2020 Aug 16; Vol. 1625, pp. 461294. Date of Electronic Publication: 2020 Jun 03.
Typ publikacji :
Journal Article
MeSH Terms :
Drug Evaluation, Preclinical*
User-Computer Interface*
Corydalis/*chemistry
Countercurrent Distribution/*methods
Enzyme Inhibitors/*isolation & purification
Histone Demethylases/*antagonists & inhibitors
Biological Assay ; Cell Line, Tumor ; Cell Movement/drug effects ; Chromatography, High Pressure Liquid ; Enzyme Inhibitors/chemistry ; Histone Demethylases/metabolism ; Humans ; Hydrogen-Ion Concentration ; Molecular Docking Simulation ; Solvents ; Tandem Mass Spectrometry
Czasopismo naukowe
Tytuł :
Machine learning classification can reduce false positives in structure-based virtual screening.
Autorzy :
Adeshina YO; Program in Molecular Therapeutics, Fox Chase Cancer Center, Philadelphia, PA 19111.; Center for Computational Biology, University of Kansas, Lawrence, KS 66045.
Deeds EJ; Center for Computational Biology, University of Kansas, Lawrence, KS 66045.; Department of Molecular Biosciences, University of Kansas, Lawrence, KS 66045.
Karanicolas J; Program in Molecular Therapeutics, Fox Chase Cancer Center, Philadelphia, PA 19111; .
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Źródło :
Proceedings of the National Academy of Sciences of the United States of America [Proc Natl Acad Sci U S A] 2020 Aug 04; Vol. 117 (31), pp. 18477-18488. Date of Electronic Publication: 2020 Jul 15.
Typ publikacji :
Evaluation Study; Journal Article; Research Support, N.I.H., Extramural; Research Support, U.S. Gov't, Non-P.H.S.
MeSH Terms :
Machine Learning*
Drug Evaluation, Preclinical/*methods
Small Molecule Libraries/*pharmacology
Databases, Protein ; Drug Discovery ; Drug Evaluation, Preclinical/instrumentation ; Humans
Czasopismo naukowe
Tytuł :
The activities of drug inactive ingredients on biological targets.
Autorzy :
Pottel J; Department of Pharmaceutical Chemistry, University of California, San Francisco, CA 94158, USA.
Armstrong D; Preclinical Safety, Novartis Institutes for Biomedical Research, Cambridge, MA 02139, USA.
Zou L; Department of Bioengineering and Therapeutic Sciences, University of California, San Francisco, CA 94158, USA.
Fekete A; Preclinical Safety, Novartis Institutes for Biomedical Research, Cambridge, MA 02139, USA.
Huang XP; Department of Pharmacology, University of North Carolina, Chapel Hill, NC 27759, USA.
Torosyan H; Department of Pharmaceutical Chemistry, University of California, San Francisco, CA 94158, USA.
Bednarczyk D; PK Sciences, Novartis Institutes for Biomedical Research, Cambridge, MA 02139, USA.
Whitebread S; Preclinical Safety, Novartis Institutes for Biomedical Research, Cambridge, MA 02139, USA.
Bhhatarai B; PK Sciences, Novartis Institutes for Biomedical Research, Cambridge, MA 02139, USA.
Liang G; PK Sciences, Novartis Institutes for Biomedical Research, Cambridge, MA 02139, USA.
Jin H; Preclinical Safety, Novartis Institutes for Biomedical Research, Cambridge, MA 02139, USA.
Ghaemi SN; Translational Medicine, Novartis Institutes for Biomedical Research, Cambridge, MA 02139, USA.; Tufts University School of Medicine, Boston, MA 02111, USA.; Harvard Medical School, Boston, MA 02115, USA.
Slocum S; Department of Pharmacology, University of North Carolina, Chapel Hill, NC 27759, USA.
Lukacs KV; National Heart and Lung Institute, Imperial College, London SW7 2AZ, UK.
Irwin JJ; Department of Pharmaceutical Chemistry, University of California, San Francisco, CA 94158, USA.
Berg EL; Eurofins, DiscoverX, South San Francisco, CA 94080, USA.
Giacomini KM; Department of Bioengineering and Therapeutic Sciences, University of California, San Francisco, CA 94158, USA.
Roth BL; Department of Pharmacology, University of North Carolina, Chapel Hill, NC 27759, USA.
Shoichet BK; Department of Pharmaceutical Chemistry, University of California, San Francisco, CA 94158, USA. .
Urban L; Preclinical Safety, Novartis Institutes for Biomedical Research, Cambridge, MA 02139, USA. .
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Źródło :
Science (New York, N.Y.) [Science] 2020 Jul 24; Vol. 369 (6502), pp. 403-413.
Typ publikacji :
Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't
MeSH Terms :
Drug Compounding*
Drug Evaluation, Preclinical*/methods
Drug Evaluation, Preclinical*/standards
Excipients/*pharmacology
Animals ; Excipients/adverse effects ; Humans ; Molecular Targeted Therapy
Czasopismo naukowe

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