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


Tytuł :
Selected Thoughts on Hydrophobicity in Drug Design.
Autorzy :
Lou LL; Nexus Development PA, Redwood City, CA 94065, USA.
Martin JC; Nexus Development PA, Redwood City, CA 94065, USA.
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Źródło :
Molecules (Basel, Switzerland) [Molecules] 2021 Feb 07; Vol. 26 (4). Date of Electronic Publication: 2021 Feb 07.
Typ publikacji :
Journal Article
MeSH Terms :
Drug Design*
Antiviral Agents/*chemistry
Nucleosides/*chemistry
Organophosphonates/*chemistry
Antiviral Agents/therapeutic use ; Drug Discovery ; Humans ; Hydrophobic and Hydrophilic Interactions/drug effects
Czasopismo naukowe
Tytuł :
Advances in de Novo Drug Design: From Conventional to Machine Learning Methods.
Autorzy :
Mouchlis VD; Department of ChemoInformatics, NovaMechanics Ltd., Nicosia 1046, Cyprus.
Afantitis A; Department of ChemoInformatics, NovaMechanics Ltd., Nicosia 1046, Cyprus.
Serra A; Faculty of Medicine and Health Technology, Tampere University, 33520 Tampere, Finland.; BioMEdiTech Institute, Tampere University, 33520 Tampere, Finland.
Fratello M; Faculty of Medicine and Health Technology, Tampere University, 33520 Tampere, Finland.; BioMEdiTech Institute, Tampere University, 33520 Tampere, Finland.
Papadiamantis AG; Department of ChemoInformatics, NovaMechanics Ltd., Nicosia 1046, Cyprus.; School of Geography, Earth and Environmental Sciences, University of Birmingham, Birmingham B15 2TT, UK.
Aidinis V; Institute for Bioinnovation, Biomedical Sciences Research Center Alexander Fleming, Fleming 34, 16672 Athens, Greece.
Lynch I; School of Geography, Earth and Environmental Sciences, University of Birmingham, Birmingham B15 2TT, UK.
Greco D; Faculty of Medicine and Health Technology, Tampere University, 33520 Tampere, Finland.; BioMEdiTech Institute, Tampere University, 33520 Tampere, Finland.; Institute of Biotechnology, University of Helsinki, 00014 Helsinki, Finland.; Finnish Center for Alternative Methods (FICAM), Tampere University, 33520 Tampere, Finland.
Melagraki G; Division of Physical Sciences & Applications, Hellenic Military Academy, 16672 Vari, Greece.
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Źródło :
International journal of molecular sciences [Int J Mol Sci] 2021 Feb 07; Vol. 22 (4). Date of Electronic Publication: 2021 Feb 07.
Typ publikacji :
Journal Article; Review
MeSH Terms :
Drug Design*
Machine Learning*
Neural Networks, Computer*
Pharmaceutical Preparations/*chemistry
Animals ; Humans
Czasopismo naukowe
Tytuł :
Knowing and combating the enemy: a brief review on SARS-CoV-2 and computational approaches applied to the discovery of drug candidates.
Autorzy :
Serafim MSM; Department of Microbiology, Biological Sciences Institute, Federal University of Minas Gerais (UFMG), Belo Horizonte, MG, Brazil.
Gertrudes JC; Department of Computer Science, Federal University of Ouro Preto (UFOP), Ouro Preto, MG, Brazil.
Costa DMA; Department of Pharmaceutical Products, Faculty of Pharmacy, Federal University of Minas Gerais (UFMG), Belo Horizonte, MG, Brazil.
Oliveira PR; School of Arts, Sciences and Humanities, University of São Paulo (USP), 03828-000, São Paulo, SP, Brazil.
Maltarollo VG; Department of Pharmaceutical Products, Faculty of Pharmacy, Federal University of Minas Gerais (UFMG), Belo Horizonte, MG, Brazil.
Honorio KM; School of Arts, Sciences and Humanities, University of São Paulo (USP), 03828-000, São Paulo, SP, Brazil.; Center for Natural and Human Sciences, Federal University of ABC (UFABC), Santo Andre, SP, Brazil.
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Źródło :
Bioscience reports [Biosci Rep] 2021 Mar 26; Vol. 41 (3).
Typ publikacji :
Journal Article; Review
MeSH Terms :
Drug Design*
Antiviral Agents/*pharmacology
COVID-19/*drug therapy
Drug Discovery/*methods
SARS-CoV-2/*drug effects
Antiviral Agents/chemistry ; Artificial Intelligence ; COVID-19/metabolism ; Drug Repositioning ; Humans ; Molecular Docking Simulation ; SARS-CoV-2/physiology
Czasopismo naukowe
Tytuł :
Shedding Light on the Inhibitory Mechanisms of SARS-CoV-1/CoV-2 Spike Proteins by ACE2-Designed Peptides.
Autorzy :
Freitas FC; Laboratório de Biofísica Teórica, Departamento de Física, Instituto de Ciências Exatas, Naturais e Educação, Universidade Federal do Triângulo Mineiro, Uberaba, MG 38064-200, Brazil.
Ferreira PHB; Laboratório de Biofísica Teórica, Departamento de Física, Instituto de Ciências Exatas, Naturais e Educação, Universidade Federal do Triângulo Mineiro, Uberaba, MG 38064-200, Brazil.
Favaro DC; Departamento de Química Orgânica, Instituto de Química, Universidade Estadual de Campinas, São Paulo, SP 13083-970, Brazil.
Oliveira RJ; Laboratório de Biofísica Teórica, Departamento de Física, Instituto de Ciências Exatas, Naturais e Educação, Universidade Federal do Triângulo Mineiro, Uberaba, MG 38064-200, Brazil.
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Źródło :
Journal of chemical information and modeling [J Chem Inf Model] 2021 Mar 22; Vol. 61 (3), pp. 1226-1243. Date of Electronic Publication: 2021 Feb 23.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Drug Design*
Angiotensin-Converting Enzyme 2/*metabolism
Antiviral Agents/*pharmacology
COVID-19/*drug therapy
Peptides/*pharmacology
Spike Glycoprotein, Coronavirus/*metabolism
Antiviral Agents/chemistry ; COVID-19/metabolism ; Humans ; Models, Molecular ; Peptides/chemistry ; Protein Binding/drug effects ; Protein Domains/drug effects ; SARS Virus/drug effects ; SARS Virus/metabolism ; SARS-CoV-2/drug effects ; SARS-CoV-2/metabolism ; Severe Acute Respiratory Syndrome/drug therapy ; Severe Acute Respiratory Syndrome/metabolism
Czasopismo naukowe
Tytuł :
A call to arms.
Autorzy :
Service RF
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Źródło :
Science (New York, N.Y.) [Science] 2021 Mar 12; Vol. 371 (6534), pp. 1092-1095. Date of Electronic Publication: 2021 Mar 11.
Typ publikacji :
Journal Article
MeSH Terms :
Antiviral Agents*/chemical synthesis
Antiviral Agents*/chemistry
Antiviral Agents*/pharmacology
Antiviral Agents*/therapeutic use
Drug Design*
Drug Discovery*
Pharmaceutical Research*
COVID-19/*drug therapy
SARS-CoV-2/*drug effects
Animals ; Artificial Intelligence ; Clinical Trials as Topic ; Drug Development ; Drug Evaluation, Preclinical ; Drug Repositioning ; Humans ; SARS-CoV-2/chemistry ; SARS-CoV-2/physiology
SCR Protocol :
COVID-19 drug treatment
Czasopismo naukowe
Tytuł :
Drug design and repurposing with DockThor-VS web server focusing on SARS-CoV-2 therapeutic targets and their non-synonym variants.
Autorzy :
Guedes IA; Grupo de Modelagem Molecular em Sistemas Biológicos (GMMSB), National Laboratory for Scientific Computing - LNCC, Petrópolis, RJ, Brazil.
Costa LSC; Grupo de Modelagem Molecular em Sistemas Biológicos (GMMSB), National Laboratory for Scientific Computing - LNCC, Petrópolis, RJ, Brazil.
Dos Santos KB; Grupo de Modelagem Molecular em Sistemas Biológicos (GMMSB), National Laboratory for Scientific Computing - LNCC, Petrópolis, RJ, Brazil.
Karl ALM; Grupo de Modelagem Molecular em Sistemas Biológicos (GMMSB), National Laboratory for Scientific Computing - LNCC, Petrópolis, RJ, Brazil.
Rocha GK; Instituto Federal Fluminense - IFF, Macaé, RJ, Brazil.
Teixeira IM; Grupo de Modelagem Molecular em Sistemas Biológicos (GMMSB), National Laboratory for Scientific Computing - LNCC, Petrópolis, RJ, Brazil.
Galheigo MM; Grupo de Modelagem Molecular em Sistemas Biológicos (GMMSB), National Laboratory for Scientific Computing - LNCC, Petrópolis, RJ, Brazil.
Medeiros V; Grupo de Modelagem Molecular em Sistemas Biológicos (GMMSB), National Laboratory for Scientific Computing - LNCC, Petrópolis, RJ, Brazil.
Krempser E; Fundação Oswaldo Cruz - Fiocruz, Rio de Janeiro, RJ, Brazil.
Custódio FL; Grupo de Modelagem Molecular em Sistemas Biológicos (GMMSB), National Laboratory for Scientific Computing - LNCC, Petrópolis, RJ, Brazil.
Barbosa HJC; Grupo de Modelagem Molecular em Sistemas Biológicos (GMMSB), National Laboratory for Scientific Computing - LNCC, Petrópolis, RJ, Brazil.
Nicolás MF; Laboratório de Bioinformática (Labinfo), National Laboratory for Scientific Computing - LNCC, Petrópolis, RJ, Brazil. .
Dardenne LE; Grupo de Modelagem Molecular em Sistemas Biológicos (GMMSB), National Laboratory for Scientific Computing - LNCC, Petrópolis, RJ, Brazil. .
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Źródło :
Scientific reports [Sci Rep] 2021 Mar 10; Vol. 11 (1), pp. 5543. Date of Electronic Publication: 2021 Mar 10.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Drug Design*
COVID-19/*drug therapy
Drug Repositioning/*methods
Antiviral Agents/pharmacology ; Humans ; Internet ; Molecular Docking Simulation/methods ; Pandemics ; SARS-CoV-2/metabolism ; SARS-CoV-2/pathogenicity
Czasopismo naukowe
Tytuł :
Self-assembled mRNA vaccines.
Autorzy :
Kim J; Department of Pharmaceutical Sciences, College of Pharmacy, Oregon State University, Robertson Life Science Building, 2730 South Moody Avenue, Portland, Oregon 97201, USA.
Eygeris Y; Department of Pharmaceutical Sciences, College of Pharmacy, Oregon State University, Robertson Life Science Building, 2730 South Moody Avenue, Portland, Oregon 97201, USA.
Gupta M; Department of Pharmaceutical Sciences, College of Pharmacy, Oregon State University, Robertson Life Science Building, 2730 South Moody Avenue, Portland, Oregon 97201, USA.
Sahay G; Department of Pharmaceutical Sciences, College of Pharmacy, Oregon State University, Robertson Life Science Building, 2730 South Moody Avenue, Portland, Oregon 97201, USA; Department of Biomedical Engineering, Oregon Health & Science University, Robertson Life Science Building, 2730 South Moody Avenue, Portland, Oregon 97201, USA; Department of Ophthalmology, Casey Eye Institute, Oregon Health & Science University, Portland, Oregon 97239, USA. Electronic address: .
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Źródło :
Advanced drug delivery reviews [Adv Drug Deliv Rev] 2021 Mar; Vol. 170, pp. 83-112. Date of Electronic Publication: 2021 Jan 02.
Typ publikacji :
Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't; Review
MeSH Terms :
Drug Design*
Gene Transfer Techniques*/trends
COVID-19 Vaccines/*administration & dosage
Nanotechnology/*methods
RNA, Messenger/*administration & dosage
Vaccines, Synthetic/*administration & dosage
Animals ; COVID-19 Vaccines/genetics ; COVID-19 Vaccines/immunology ; Humans ; Nanoparticles/administration & dosage ; Nanotechnology/trends ; RNA, Messenger/genetics ; RNA, Messenger/immunology ; Vaccines, Synthetic/genetics ; Vaccines, Synthetic/immunology
Czasopismo naukowe
Tytuł :
Denovo designing, retro-combinatorial synthesis, and molecular dynamics analysis identify novel antiviral VTRM1.1 against RNA-dependent RNA polymerase of SARS CoV2 virus.
Autorzy :
Tiwari V; Department of Biochemistry, Central University of Rajasthan, Ajmer 305817, India. Electronic address: .
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Źródło :
International journal of biological macromolecules [Int J Biol Macromol] 2021 Feb 28; Vol. 171, pp. 358-365. Date of Electronic Publication: 2021 Jan 07.
Typ publikacji :
Journal Article
MeSH Terms :
Antiviral Agents*/chemical synthesis
Antiviral Agents*/chemistry
Drug Design*
Enzyme Inhibitors*/chemical synthesis
Enzyme Inhibitors*/chemistry
Coronavirus RNA-Dependent RNA Polymerase/*antagonists & inhibitors
SARS-CoV-2/*enzymology
Binding Sites ; COVID-19 ; Humans ; Molecular Dynamics Simulation ; Protein Domains
Czasopismo naukowe
Tytuł :
Peptide-Protein Interactions: From Drug Design to Supramolecular Biomaterials.
Autorzy :
Caporale A; IC-CNR, c/o Area Science Park, S.S. 14 Km 163.5 Basovizza, 34149 Trieste, Italy.
Adorinni S; Dipartimento di Scienze Chimiche e Farmaceutiche di Università di Trieste, Via L. Giorgieri 1, 34127 Trieste, Italy.
Lamba D; IC-CNR, c/o Area Science Park, S.S. 14 Km 163.5 Basovizza, 34149 Trieste, Italy.; Istituto Nazionale Biostrutture e Biosistemi, Consorzio Interuniversitario, Viale delle Medaglie d'Oro 305, I-00136 Roma, Italy.
Saviano M; Istituto di Cristallografia, Consiglio Nazionale delle Ricerche (IC-CNR), Via Giovanni Amendola 122/O, 70126 Bari, Italy.
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Źródło :
Molecules (Basel, Switzerland) [Molecules] 2021 Feb 25; Vol. 26 (5). Date of Electronic Publication: 2021 Feb 25.
Typ publikacji :
Journal Article; Review
MeSH Terms :
Drug Design*
Biocompatible Materials/*chemistry
Peptides/*chemistry
Proteins/*chemistry
Drug Delivery Systems ; Macromolecular Substances/chemistry
Czasopismo naukowe
Tytuł :
Kobophenol A Inhibits Binding of Host ACE2 Receptor with Spike RBD Domain of SARS-CoV-2, a Lead Compound for Blocking COVID-19.
Autorzy :
Gangadevi S; Anhui Provincial Engineering Laboratory of Silicon-Based Materials, Bengbu University, Caoshan Road 1866, Bengbu, Anhui 233030, PR China.
Badavath VN; Institute for Drug Research, The Hebrew University, Jerusalem 9112001, Israel.
Thakur A; Department of Chemistry, University of Miami, Coral Gables, Florida 33146, United States.
Yin N; Anhui Provincial Engineering Laboratory of Silicon-Based Materials, Bengbu University, Caoshan Road 1866, Bengbu, Anhui 233030, PR China.
De Jonghe S; Department of Microbiology, Immunology and Transplantation, Rega Institute for Medical Research, Laboratory of Virology and Chemotherapy, KU Leuven, Herestraat 49, 3000 Leuven, Belgium.
Acevedo O; Department of Chemistry, University of Miami, Coral Gables, Florida 33146, United States.
Jochmans D; Department of Microbiology, Immunology and Transplantation, Rega Institute for Medical Research, Laboratory of Virology and Chemotherapy, KU Leuven, Herestraat 49, 3000 Leuven, Belgium.
Leyssen P; Department of Microbiology, Immunology and Transplantation, Rega Institute for Medical Research, Laboratory of Virology and Chemotherapy, KU Leuven, Herestraat 49, 3000 Leuven, Belgium.
Wang K; College of Material and Chemical Engineering, Bengbu University, Bengbu 233030, China.
Neyts J; Department of Microbiology, Immunology and Transplantation, Rega Institute for Medical Research, Laboratory of Virology and Chemotherapy, KU Leuven, Herestraat 49, 3000 Leuven, Belgium.
Yujie T; East China University of Political Science and Law, Shanghai 20042 China.
Blum G; Institute for Drug Research, The Hebrew University, Jerusalem 9112001, Israel.
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Źródło :
The journal of physical chemistry letters [J Phys Chem Lett] 2021 Feb 25; Vol. 12 (7), pp. 1793-1802. Date of Electronic Publication: 2021 Feb 12.
Typ publikacji :
Journal Article
MeSH Terms :
Drug Design*
Angiotensin-Converting Enzyme 2/*metabolism
COVID-19/*drug therapy
Receptors, Coronavirus/*metabolism
SARS-CoV-2/*drug effects
Spike Glycoprotein, Coronavirus/*metabolism
Stilbenes/*pharmacology
Animals ; Chlorocebus aethiops ; Computer Simulation ; Humans ; Hydrophobic and Hydrophilic Interactions ; Molecular Docking Simulation ; Protein Binding ; SARS-CoV-2/metabolism ; Vero Cells
Czasopismo naukowe
Tytuł :
Metal-Organic Frameworks for Drug Delivery: A Design Perspective.
Autorzy :
Lawson HD; Michigan State University, Department of Chemical Engineering and Materials Science, 428 South Shaw Lane, East Lansing, Michigan 48824, United States.
Walton SP; Michigan State University, Department of Chemical Engineering and Materials Science, 428 South Shaw Lane, East Lansing, Michigan 48824, United States.
Chan C; Michigan State University, Department of Chemical Engineering and Materials Science, 428 South Shaw Lane, East Lansing, Michigan 48824, United States.; Michigan State University, Department of Biochemistry and Molecular Biology, 603 Wilson Road, East Lansing, Michigan 48824, United States.
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Źródło :
ACS applied materials & interfaces [ACS Appl Mater Interfaces] 2021 Feb 17; Vol. 13 (6), pp. 7004-7020. Date of Electronic Publication: 2021 Feb 07.
Typ publikacji :
Journal Article; Review
MeSH Terms :
Drug Delivery Systems*
Drug Design*
Metal-Organic Frameworks/*chemistry
Biomedical Research ; Metal-Organic Frameworks/chemical synthesis
Czasopismo naukowe
Tytuł :
Design and Evaluation of a Polypeptide that Mimics the Integrin Binding Site for EDA Fibronectin to Block Profibrotic Cell Activity.
Autorzy :
Zhang L; Key Laboratory of Bioactive Materials, Ministry of Education, College of Life Sciences, Nankai University, Tianjin 300071, China.
Yan H; Key Laboratory of Bioactive Materials, Ministry of Education, College of Life Sciences, Nankai University, Tianjin 300071, China.
Tai Y; Key Laboratory of Bioactive Materials, Ministry of Education, College of Life Sciences, Nankai University, Tianjin 300071, China.
Xue Y; Key Laboratory of Bioactive Materials, Ministry of Education, College of Life Sciences, Nankai University, Tianjin 300071, China.
Wei Y; Key Laboratory of Bioactive Materials, Ministry of Education, College of Life Sciences, Nankai University, Tianjin 300071, China.
Wang K; Key Laboratory of Bioactive Materials, Ministry of Education, College of Life Sciences, Nankai University, Tianjin 300071, China.
Zhao Q; Key Laboratory of Bioactive Materials, Ministry of Education, College of Life Sciences, Nankai University, Tianjin 300071, China.
Wang S; Key Laboratory of Bioactive Materials, Ministry of Education, College of Life Sciences, Nankai University, Tianjin 300071, China.
Kong D; Key Laboratory of Bioactive Materials, Ministry of Education, College of Life Sciences, Nankai University, Tianjin 300071, China.; Rongxiang Xu Center for Regenerative Life Science, State Key Laboratory of Medicinal Chemical Biology, College of Life Sciences, Nankai University, Tianjin 300071, China.
Midgley AC; Key Laboratory of Bioactive Materials, Ministry of Education, College of Life Sciences, Nankai University, Tianjin 300071, China.; Rongxiang Xu Center for Regenerative Life Science, State Key Laboratory of Medicinal Chemical Biology, College of Life Sciences, Nankai University, Tianjin 300071, China.
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Źródło :
International journal of molecular sciences [Int J Mol Sci] 2021 Feb 04; Vol. 22 (4). Date of Electronic Publication: 2021 Feb 04.
Typ publikacji :
Evaluation Study; Journal Article
MeSH Terms :
Drug Design*
Fibroblasts/*drug effects
Fibronectins/*metabolism
Fibrosis/*drug therapy
Integrins/*metabolism
Myofibroblasts/*drug effects
Peptides/*pharmacology
Binding Sites ; Cell Differentiation ; Extracellular Matrix/metabolism ; Fibroblasts/cytology ; Fibroblasts/metabolism ; Fibronectins/chemistry ; Fibrosis/metabolism ; Fibrosis/pathology ; Humans ; Integrins/chemistry ; Lung/cytology ; Lung/drug effects ; Lung/metabolism ; Molecular Docking Simulation ; Myofibroblasts/cytology ; Myofibroblasts/metabolism ; Protein Binding ; Protein Domains ; Signal Transduction
Czasopismo naukowe
Tytuł :
Coumarin Sulfonamides and Amides Derivatives: Design, Synthesis, and Antitumor Activity In Vitro.
Autorzy :
Zhang J; Key Laboratory of Molecular Target & Clinical Pharmacology and the State Key Laboratory of Respiratory Disease, School of Pharmaceutical Sciences & the Fifth Affiliated Hospital, Guangzhou Medical University, Guangzhou 511436, China.
Tan Y; Key Laboratory of Molecular Target & Clinical Pharmacology and the State Key Laboratory of Respiratory Disease, School of Pharmaceutical Sciences & the Fifth Affiliated Hospital, Guangzhou Medical University, Guangzhou 511436, China.
Li G; Key Laboratory of Molecular Target & Clinical Pharmacology and the State Key Laboratory of Respiratory Disease, School of Pharmaceutical Sciences & the Fifth Affiliated Hospital, Guangzhou Medical University, Guangzhou 511436, China.
Chen L; Key Laboratory of Molecular Target & Clinical Pharmacology and the State Key Laboratory of Respiratory Disease, School of Pharmaceutical Sciences & the Fifth Affiliated Hospital, Guangzhou Medical University, Guangzhou 511436, China.
Nie M; Key Laboratory of Molecular Target & Clinical Pharmacology and the State Key Laboratory of Respiratory Disease, School of Pharmaceutical Sciences & the Fifth Affiliated Hospital, Guangzhou Medical University, Guangzhou 511436, China.
Wang Z; School of Basic Medical Sciences, Guangzhou Medical University, Guangzhou 511436, China.
Ji H; Key Laboratory of Molecular Target & Clinical Pharmacology and the State Key Laboratory of Respiratory Disease, School of Pharmaceutical Sciences & the Fifth Affiliated Hospital, Guangzhou Medical University, Guangzhou 511436, China.
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Źródło :
Molecules (Basel, Switzerland) [Molecules] 2021 Feb 03; Vol. 26 (4). Date of Electronic Publication: 2021 Feb 03.
Typ publikacji :
Journal Article
MeSH Terms :
Coumarins*/chemical synthesis
Coumarins*/chemistry
Coumarins*/pharmacology
Drug Design*
Sulfonamides*/chemical synthesis
Sulfonamides*/chemistry
Sulfonamides*/pharmacology
Neoplasms/*drug therapy
Antineoplastic Agents/chemical synthesis ; Antineoplastic Agents/chemistry ; Antineoplastic Agents/pharmacology ; HCT116 Cells ; Humans ; Neoplasms/metabolism ; Neoplasms/pathology
Czasopismo naukowe
Tytuł :
Potential for Kappa-Opioid Receptor Agonists to Engineer Nonaddictive Analgesics: A Narrative Review.
Autorzy :
Kaski SW; From the Departments of Neuroscience and Behavioral Medicine & Psychiatry, West Virginia University, Morgantown, West Virginia.
White AN; From the Departments of Neuroscience and Behavioral Medicine & Psychiatry, West Virginia University, Morgantown, West Virginia.
Gross JD; Department of Cell Biology, Duke University Medical Center, Durham, North Carolina.
Siderovski DP; Department of Pharmacology & Neuroscience, University of North Texas Health Science Center, Fort Worth, Texas.
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Źródło :
Anesthesia and analgesia [Anesth Analg] 2021 Feb 01; Vol. 132 (2), pp. 406-419.
Typ publikacji :
Journal Article; Research Support, N.I.H., Extramural; Review
MeSH Terms :
Drug Design*
Narcotic Antagonists/*pharmacology
Nociception/*drug effects
Nociceptive Pain/*drug therapy
Opioid-Related Disorders/*prevention & control
Receptors, Opioid, kappa/*agonists
Receptors, Opioid, mu/*agonists
Animals ; Humans ; Molecular Structure ; Narcotic Antagonists/adverse effects ; Narcotic Antagonists/chemistry ; Nociceptive Pain/metabolism ; Nociceptive Pain/physiopathology ; Nociceptive Pain/psychology ; Opioid-Related Disorders/etiology ; RGS Proteins/metabolism ; Receptors, Opioid, kappa/metabolism ; Receptors, Opioid, mu/metabolism ; Signal Transduction ; Structure-Activity Relationship
Czasopismo naukowe
Tytuł :
Interactions of Designed Trp-Containing Antimicrobial Peptides with DNA of Multidrug-Resistant Pseudomonas aeruginosa .
Autorzy :
Han X; School of Life Science, Liaoning Normal University, Dalian, China.
Kou Z; School of Life Science, Liaoning Normal University, Dalian, China.
Jiang F; Department of Clinical Laboratory, the First Affiliated Hospital of Dalian Medical University, Dalian, China.
Sun X; School of Life Science, Liaoning Normal University, Dalian, China.
Shang D; School of Life Science, Liaoning Normal University, Dalian, China.; Liaoning Provincial Key Laboratory of Biotechnology and Drug Discovery, Liaoning Normal University, Dalian, China.
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Źródło :
DNA and cell biology [DNA Cell Biol] 2021 Feb; Vol. 40 (2), pp. 414-424. Date of Electronic Publication: 2020 Feb 05.
Typ publikacji :
Journal Article
MeSH Terms :
Drug Design*
Tryptophan*
DNA/*metabolism
Drug Resistance, Multiple/*drug effects
Pore Forming Cytotoxic Proteins/*chemistry
Pore Forming Cytotoxic Proteins/*pharmacology
Pseudomonas aeruginosa/*drug effects
Microbial Sensitivity Tests ; Pore Forming Cytotoxic Proteins/metabolism
Czasopismo naukowe
Tytuł :
In-silico driven design and development of spirobenzimidazo-quinazolines as potential DNA gyrase inhibitors.
Autorzy :
Korrapati SB; Medicinal Chemistry and Pharmacology, CSIR-Indian Institute of Chemical Technology, Hyderabad, 500 007, India.
Yedla P; Division of Applied Biology, CSIR-Indian Institute of Chemical Technology, Tarnaka, Hyderabad, 500 085, India.
Pillai GG; Discovery Chemistry, Nyro Research India, Kochi, Kerala, 682 021, India.
Mohammad F; Surfactants Research Chair, Department of Chemistry, College of Science, King Saud University, Riyadh, 11451, Saudi Arabia. Electronic address: .
Ch VRR; Department of Chemistry, Jawaharlal Nehru Technological University Hyderabad, Kukatpally, Hyderabad, 500 085, India.
Bhamidipati P; School of Chemistry, University of Hyderabad, 500 046, India.
Amanchy R; Division of Applied Biology, CSIR-Indian Institute of Chemical Technology, Tarnaka, Hyderabad, 500 085, India. Electronic address: .
Syed R; Department of Chemistry, Jawaharlal Nehru Technological University Hyderabad, Kukatpally, Hyderabad, 500 085, India. Electronic address: .
Kamal A; Medicinal Chemistry and Pharmacology, CSIR-Indian Institute of Chemical Technology, Hyderabad, 500 007, India; School of Pharmaceutical Education and Research (SPER), Jamia Hamdard, New Delhi, 110 062, India. Electronic address: .
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Źródło :
Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie [Biomed Pharmacother] 2021 Feb; Vol. 134, pp. 111132. Date of Electronic Publication: 2020 Dec 24.
Typ publikacji :
Journal Article
MeSH Terms :
Computer-Aided Design*
Drug Design*
Anti-Bacterial Agents/*pharmacology
Bacteria/*drug effects
Benzimidazoles/*pharmacology
DNA Gyrase/*metabolism
Quinazolines/*pharmacology
Topoisomerase II Inhibitors/*pharmacology
Anti-Bacterial Agents/chemical synthesis ; Bacteria/growth & development ; Benzimidazoles/chemical synthesis ; Binding Sites ; Biofilms/drug effects ; Biofilms/growth & development ; DNA Gyrase/chemistry ; Green Chemistry Technology ; Microbial Sensitivity Tests ; Molecular Docking Simulation ; Molecular Structure ; Protein Binding ; Quantitative Structure-Activity Relationship ; Quinazolines/chemical synthesis ; Topoisomerase II Inhibitors/chemical synthesis
Czasopismo naukowe
Tytuł :
An R-shiny application to calculate optimal designs for single substance and interaction trials in dose response experiments.
Autorzy :
Holland-Letz T; German Cancer Research Center, Im Neuenheimer Feld 280, 69120 Heidelberg, Germany. Electronic address: .
Kopp-Schneider A; German Cancer Research Center, Im Neuenheimer Feld 280, 69120 Heidelberg, Germany. Electronic address: .
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Źródło :
Toxicology letters [Toxicol Lett] 2021 Feb 01; Vol. 337, pp. 18-27. Date of Electronic Publication: 2020 Nov 21.
Typ publikacji :
Journal Article
MeSH Terms :
Algorithms*
Dose-Response Relationship, Drug*
Drug Design*
Drug Interactions*
Antineoplastic Agents/pharmacology ; Cisplatin/pharmacology ; Computer Simulation ; Drug Evaluation, Preclinical ; Humans ; Research Design
Czasopismo naukowe
Tytuł :
The Role of Fluorine in Glycomimetic Drug Design.
Autorzy :
Hevey R; Department of Pharmaceutical Sciences, University of Basel, Pharmazentrum, Klingelbergstrasse 50, 4056, Basel, Switzerland.
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Źródło :
Chemistry (Weinheim an der Bergstrasse, Germany) [Chemistry] 2021 Feb 01; Vol. 27 (7), pp. 2240-2253. Date of Electronic Publication: 2020 Nov 26.
Typ publikacji :
Journal Article; Review
MeSH Terms :
Biomimetics*
Drug Design*
Biomimetic Materials/*chemical synthesis
Biomimetic Materials/*chemistry
Fluorine/*chemistry
Polysaccharides/*chemical synthesis
Polysaccharides/*chemistry
Carbasugars/chemistry ; Glycosides/chemistry ; Halogenation
Czasopismo naukowe
Tytuł :
Pan-coronavirus fusion inhibitors as the hope for today and tomorrow.
Autorzy :
Wang X; Key Laboratory of Medical Molecular Virology (MOE/NHC/CAMS), School of Basic Medical Sciences, Fudan University, Shanghai, 200032, China.
Xia S; Key Laboratory of Medical Molecular Virology (MOE/NHC/CAMS), School of Basic Medical Sciences, Fudan University, Shanghai, 200032, China.
Zhu Y; National Laboratory of Biomacromolecules, Institute of Biophysics, Chinese Academy of Sciences, Beijing, 100101, China.
Lu L; Key Laboratory of Medical Molecular Virology (MOE/NHC/CAMS), School of Basic Medical Sciences, Fudan University, Shanghai, 200032, China. .
Jiang S; Key Laboratory of Medical Molecular Virology (MOE/NHC/CAMS), School of Basic Medical Sciences, Fudan University, Shanghai, 200032, China. .
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Źródło :
Protein & cell [Protein Cell] 2021 Feb; Vol. 12 (2), pp. 84-88. Date of Electronic Publication: 2021 Jan 09.
Typ publikacji :
Journal Article; Research Support, Non-U.S. Gov't
MeSH Terms :
Drug Design*
Spike Glycoprotein, Coronavirus*/antagonists & inhibitors
Spike Glycoprotein, Coronavirus*/metabolism
Coronavirus/*drug effects
Coronavirus Infections/*drug therapy
Viral Fusion Protein Inhibitors/*pharmacology
Viral Fusion Proteins/*metabolism
Amino Acid Sequence ; Humans ; Protein Structure, Secondary
Czasopismo naukowe

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