Temat: "Models, Molecular" - OpacWWW

Skocz do pozycji: 1.

Tytuł:: Synthesis, computational study and biological evaluation of 9-acridinyl and 1-coumarinyl-1,2,3-triazole-4-yl derivatives as topoisomerase II inhibitors.
Autorzy:: Abdel-Hafez GA; South Egypt Cancer Institute, Assiut, Egypt.
Mohamed AI; Pharmaceutical Analytical Chemistry Department, Faculty of Pharmacy, Assiut University, Assiut, Egypt.
Youssef AF; Medicinal Chemistry Department, Faculty of Pharmacy, Assiut University, Assiut, Egypt.
Simons C; School of Pharmacy and Pharmaceutical Sciences, Cardiff University, Cardiff, UK.
Aboraia AS; Medicinal Chemistry Department, Faculty of Pharmacy, Assiut University, Assiut, Egypt.; Pokaż więcej
Źródło:: Journal of enzyme inhibition and medicinal chemistry [J Enzyme Inhib Med Chem] 2022 Dec; Vol. 37 (1), pp. 502-513.
Typ publikacji:: Journal Article
MeSH Terms:: Acridines/*pharmacology
Antineoplastic Agents/*pharmacology
Coumarins/*pharmacology
DNA Topoisomerases, Type II/*metabolism
Topoisomerase II Inhibitors/*pharmacology
Triazoles/*pharmacology
Acridines/chemistry ; Antineoplastic Agents/chemical synthesis ; Antineoplastic Agents/chemistry ; Cell Line, Tumor ; Cell Proliferation/drug effects ; Cell Survival/drug effects ; Coumarins/chemistry ; Dose-Response Relationship, Drug ; Doxorubicin/chemistry ; Doxorubicin/pharmacology ; Drug Screening Assays, Antitumor ; Humans ; Models, Molecular ; Molecular Structure ; Structure-Activity Relationship ; Topoisomerase II Inhibitors/chemical synthesis ; Topoisomerase II Inhibitors/chemistry ; Triazoles/chemistry

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Skocz do pozycji: 2.

Tytuł:: New PIN1 inhibitors identified through a pharmacophore-driven, hierarchical consensus docking strategy.
Autorzy:: Poli G; Department of Pharmacy, University of Pisa, Pisa, Italy.
Di Stefano M; Department of Pharmacy, University of Pisa, Pisa, Italy.
Estevez JA; Department of Pharmacy, University of Pisa, Pisa, Italy.
Minutolo F; Department of Pharmacy, University of Pisa, Pisa, Italy.
Granchi C; Department of Pharmacy, University of Pisa, Pisa, Italy.
Giordano A; Sbarro Institute for Cancer Research and Molecular Medicine, Center for Biotechnology, College of Science and Technology, Temple University, Philadelphia, PA, USA.
Parisi S; Pathology Unit, CRO Aviano, National Cancer Institute, IRCCS, Aviano, Italy.
Mauceri M; Pathology Unit, CRO Aviano, National Cancer Institute, IRCCS, Aviano, Italy.; Department of Molecular Science and Nanosystems, Ca' Foscari University of Venezia, Venezia-Mestre, Italy.
Canzonieri V; Pathology Unit, CRO Aviano, National Cancer Institute, IRCCS, Aviano, Italy.; Department of Medical, Surgical and Health Sciences, University of Trieste, Trieste, Italy.
Macchia M; Department of Pharmacy, University of Pisa, Pisa, Italy.
Caligiuri I; Pathology Unit, CRO Aviano, National Cancer Institute, IRCCS, Aviano, Italy.
Tuccinardi T; Department of Pharmacy, University of Pisa, Pisa, Italy.; Sbarro Institute for Cancer Research and Molecular Medicine, Center for Biotechnology, College of Science and Technology, Temple University, Philadelphia, PA, USA.
Rizzolio F; Pathology Unit, CRO Aviano, National Cancer Institute, IRCCS, Aviano, Italy.; Department of Molecular Science and Nanosystems, Ca' Foscari University of Venezia, Venezia-Mestre, Italy.; Pokaż więcej
Źródło:: Journal of enzyme inhibition and medicinal chemistry [J Enzyme Inhib Med Chem] 2022 Dec; Vol. 37 (1), pp. 145-150.
Typ publikacji:: Journal Article
MeSH Terms:: Antineoplastic Agents/*pharmacology
Enzyme Inhibitors/*pharmacology
NIMA-Interacting Peptidylprolyl Isomerase/*antagonists & inhibitors
Antineoplastic Agents/chemical synthesis ; Antineoplastic Agents/chemistry ; Cell Line, Tumor ; Dose-Response Relationship, Drug ; Drug Screening Assays, Antitumor ; Enzyme Inhibitors/chemical synthesis ; Enzyme Inhibitors/chemistry ; Humans ; Models, Molecular ; Molecular Structure ; NIMA-Interacting Peptidylprolyl Isomerase/metabolism ; Structure-Activity Relationship

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Skocz do pozycji: 3.

Tytuł:: 6-Amino-2,4,5-trimethylpyridin-3-ol and 2-amino-4,6-dimethylpyrimidin-5-ol derivatives as selective fibroblast growth factor receptor 4 inhibitors: design, synthesis, molecular docking, and anti-hepatocellular carcinoma efficacy evaluation.
Autorzy:: Chaudhary CL; College of Pharmacy, Yeungnam University, Gyeongsan, Republic of Korea.
Lim D; Innovo Therapeutics Inc, Daejeon, Republic of Korea.
Chaudhary P; College of Pharmacy, Yeungnam University, Gyeongsan, Republic of Korea.
Guragain D; College of Pharmacy, Yeungnam University, Gyeongsan, Republic of Korea.
Awasthi BP; College of Pharmacy, Yeungnam University, Gyeongsan, Republic of Korea.
Park HD; Innovo Therapeutics Inc, Daejeon, Republic of Korea.
Kim JA; College of Pharmacy, Yeungnam University, Gyeongsan, Republic of Korea.
Jeong BS; College of Pharmacy, Yeungnam University, Gyeongsan, Republic of Korea.; Pokaż więcej
Źródło:: Journal of enzyme inhibition and medicinal chemistry [J Enzyme Inhib Med Chem] 2022 Dec; Vol. 37 (1), pp. 844-856.
Typ publikacji:: Journal Article
MeSH Terms:: Drug Design*
Antineoplastic Agents/*pharmacology
Carcinoma, Hepatocellular/*drug therapy
Liver Neoplasms/*drug therapy
Pyridines/*pharmacology
Pyrimidines/*pharmacology
Animals ; Antineoplastic Agents/chemical synthesis ; Antineoplastic Agents/chemistry ; Carcinoma, Hepatocellular/pathology ; Cell Proliferation/drug effects ; Chickens ; Dose-Response Relationship, Drug ; Humans ; Liver Neoplasms/pathology ; Liver Neoplasms, Experimental/drug therapy ; Liver Neoplasms, Experimental/pathology ; Models, Molecular ; Molecular Structure ; Pyridines/chemical synthesis ; Pyridines/chemistry ; Pyrimidines/chemical synthesis ; Pyrimidines/chemistry ; Structure-Activity Relationship ; Tumor Cells, Cultured

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Skocz do pozycji: 4.

Tytuł:: Design, synthesis, and biological evaluation of new thieno[2,3- d ] pyrimidine derivatives as targeted therapy for PI3K with molecular modelling study.
Autorzy:: Elmenier FM; Faculty of Pharmacy, Pharmaceutical Chemistry Department, Ain Shams University, Cairo, Egypt.
Lasheen DS; Faculty of Pharmacy, Pharmaceutical Chemistry Department, Ain Shams University, Cairo, Egypt.
Abouzid KAM; Faculty of Pharmacy, Pharmaceutical Chemistry Department, Ain Shams University, Cairo, Egypt.; Faculty of Pharmacy, Department of Organic and Medicinal Chemistry, University of Sadat City, Menoufia, Egypt.; Pokaż więcej
Źródło:: Journal of enzyme inhibition and medicinal chemistry [J Enzyme Inhib Med Chem] 2022 Dec; Vol. 37 (1), pp. 315-332.
Typ publikacji:: Journal Article
MeSH Terms:: Drug Design*
Antineoplastic Agents/*pharmacology
Phosphatidylinositol 3-Kinases/*metabolism
Phosphoinositide-3 Kinase Inhibitors/*pharmacology
Pyrimidines/*pharmacology
Antineoplastic Agents/chemical synthesis ; Antineoplastic Agents/chemistry ; Cell Line, Tumor ; Cell Proliferation/drug effects ; Dose-Response Relationship, Drug ; Drug Screening Assays, Antitumor ; Humans ; Models, Molecular ; Molecular Structure ; Phosphoinositide-3 Kinase Inhibitors/chemical synthesis ; Phosphoinositide-3 Kinase Inhibitors/chemistry ; Pyrimidines/chemical synthesis ; Pyrimidines/chemistry ; Structure-Activity Relationship

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Skocz do pozycji: 5.

Tytuł:: Synthesis, molecular modelling and QSAR study of new N- phenylacetamide-2-oxoindole benzensulfonamide conjugates as carbonic anhydrase inhibitors with antiproliferative activity.
Autorzy:: Said MF; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Cairo University, Cairo, Egypt.
George RF; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Cairo University, Cairo, Egypt.
Petreni A; Department of NEUROFARBA, Section of Pharmaceutical and Nutraceutical Sciences, University of Florence, Florence, Italy.
Supuran CT; Department of NEUROFARBA, Section of Pharmaceutical and Nutraceutical Sciences, University of Florence, Florence, Italy.
Mohamed NM; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Modern University for Technology and Information MTI, Cairo, Egypt.; Pokaż więcej
Źródło:: Journal of enzyme inhibition and medicinal chemistry [J Enzyme Inhib Med Chem] 2022 Dec; Vol. 37 (1), pp. 701-717.
Typ publikacji:: Journal Article
MeSH Terms:: Quantitative Structure-Activity Relationship*
Acetanilides/*pharmacology
Antineoplastic Agents/*pharmacology
Carbonic Anhydrase Inhibitors/*pharmacology
Carbonic Anhydrases/*metabolism
Indoles/*pharmacology
Sulfonamides/*pharmacology
Acetanilides/chemical synthesis ; Acetanilides/chemistry ; Antineoplastic Agents/chemical synthesis ; Antineoplastic Agents/chemistry ; Carbonic Anhydrase Inhibitors/chemical synthesis ; Carbonic Anhydrase Inhibitors/chemistry ; Cell Line, Tumor ; Cell Proliferation/drug effects ; Cell Survival/drug effects ; Dose-Response Relationship, Drug ; Drug Screening Assays, Antitumor ; Humans ; Indoles/chemical synthesis ; Indoles/chemistry ; Isoenzymes/antagonists & inhibitors ; Isoenzymes/metabolism ; Models, Molecular ; Molecular Structure ; Sulfonamides/chemical synthesis ; Sulfonamides/chemistry

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Skocz do pozycji: 6.

Tytuł:: Angiogenesis and anti-leukaemia activity of novel indole derivatives as potent colchicine binding site inhibitors.
Autorzy:: Yao Y; Henan Provincial Key Laboratory of Pediatric Hematology, Children's Hospital Affiliated to Zhengzhou University, Zhengzhou University, Zhengzhou, China.; School of Pharmaceutical Sciences, Zhengzhou University, Zhengzhou, Henan, China.; Ministry of Education of China, Key Laboratory of Advanced Drug Preparation Technologies (Zhengzhou University), Zhengzhou, China.
Huang T; Medical School, Huanghe Science and Technology University, Zhengzhou, Henan Province, P.R China.
Wang Y; School of Pharmaceutical Sciences, Zhengzhou University, Zhengzhou, Henan, China.
Wang L; Henan Provincial Key Laboratory of Pediatric Hematology, Children's Hospital Affiliated to Zhengzhou University, Zhengzhou University, Zhengzhou, China.
Feng S; School of Pharmaceutical Sciences, Zhengzhou University, Zhengzhou, Henan, China.; Ministry of Education of China, Key Laboratory of Advanced Drug Preparation Technologies (Zhengzhou University), Zhengzhou, China.
Cheng W; Henan Provincial Key Laboratory of Children's Genetics and Metabolic Diseases, Children's Hospital Affiliated to Zhengzhou University, Zhengzhou University, Zhengzhou, China.
Yang L; School of Pharmaceutical Sciences, Zhengzhou University, Zhengzhou, Henan, China.; Ministry of Education of China, Key Laboratory of Advanced Drug Preparation Technologies (Zhengzhou University), Zhengzhou, China.
Duan Y; Henan Provincial Key Laboratory of Pediatric Hematology, Children's Hospital Affiliated to Zhengzhou University, Zhengzhou University, Zhengzhou, China.; Henan Provincial Key Laboratory of Children's Genetics and Metabolic Diseases, Children's Hospital Affiliated to Zhengzhou University, Zhengzhou University, Zhengzhou, China.; Pokaż więcej
Źródło:: Journal of enzyme inhibition and medicinal chemistry [J Enzyme Inhib Med Chem] 2022 Dec; Vol. 37 (1), pp. 652-665.
Typ publikacji:: Journal Article
MeSH Terms:: Angiogenesis Inhibitors/*pharmacology
Antineoplastic Agents/*pharmacology
Colchicine/*antagonists & inhibitors
Indoles/*pharmacology
Neovascularization, Pathologic/*drug therapy
Tubulin Modulators/*pharmacology
Angiogenesis Inhibitors/chemical synthesis ; Angiogenesis Inhibitors/chemistry ; Animals ; Antineoplastic Agents/chemical synthesis ; Antineoplastic Agents/chemistry ; Apoptosis/drug effects ; Binding Sites/drug effects ; Cell Line, Tumor ; Cell Proliferation/drug effects ; Colchicine/metabolism ; Dose-Response Relationship, Drug ; Drug Screening Assays, Antitumor ; Humans ; Indoles/chemical synthesis ; Indoles/chemistry ; Models, Molecular ; Molecular Structure ; Neoplasms, Experimental/drug therapy ; Neoplasms, Experimental/metabolism ; Neoplasms, Experimental/pathology ; Neovascularization, Pathologic/metabolism ; Neovascularization, Pathologic/pathology ; Structure-Activity Relationship ; Tubulin/metabolism ; Tubulin Modulators/chemical synthesis ; Tubulin Modulators/chemistry ; Zebrafish

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Skocz do pozycji: 7.

Tytuł:: Synthesis and biological evaluation of celastrol derivatives as potent antitumor agents with STAT3 inhibition.
Autorzy:: Xu S; College of Pharmacy, Fujian University of Traditional Chinese Medicine, Fuzhou, P.R. China.
Fan R; College of Pharmacy, Fujian University of Traditional Chinese Medicine, Fuzhou, P.R. China.
Wang L; National Center of Colorectal Disease, Nanjing Hospital of Chinese Medicine Affiliated to Nanjing University of Chinese Medicine, Nanjing, P.R. China.
He W; Biology Department, Boston College, Brighton, MA, USA.
Ge H; School of Life Sciences, Huzhou University, Huzhou, P.R. China.
Chen H; College of Pharmacy, Fujian University of Traditional Chinese Medicine, Fuzhou, P.R. China.
Xu W; College of Pharmacy, Fujian University of Traditional Chinese Medicine, Fuzhou, P.R. China.
Zhang J; State Key Laboratory of Natural Medicines, China Pharmaceutical University, Nanjing, P.R. China.
Xu W; College of Pharmacy, Fujian University of Traditional Chinese Medicine, Fuzhou, P.R. China.
Feng Y; School of Pharmaceutical Sciences, Key Laboratory of Bioorganic Phosphorus Chemistry and Chemical Biology (Ministry of Education), Tsinghua University, Beijing, P.R. China.
Fan Z; National Center of Colorectal Disease, Nanjing Hospital of Chinese Medicine Affiliated to Nanjing University of Chinese Medicine, Nanjing, P.R. China.; Pokaż więcej
Źródło:: Journal of enzyme inhibition and medicinal chemistry [J Enzyme Inhib Med Chem] 2022 Dec; Vol. 37 (1), pp. 236-251.
Typ publikacji:: Journal Article
MeSH Terms:: Antineoplastic Agents/*pharmacology
Pentacyclic Triterpenes/*pharmacology
STAT3 Transcription Factor/*antagonists & inhibitors
Antineoplastic Agents/chemical synthesis ; Antineoplastic Agents/chemistry ; Apoptosis/drug effects ; Cell Cycle/drug effects ; Cell Proliferation/drug effects ; Dose-Response Relationship, Drug ; Drug Screening Assays, Antitumor ; Humans ; Models, Molecular ; Molecular Structure ; Pentacyclic Triterpenes/chemical synthesis ; Pentacyclic Triterpenes/chemistry ; STAT3 Transcription Factor/metabolism ; Structure-Activity Relationship ; Tumor Cells, Cultured

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Skocz do pozycji: 8.

Tytuł:: 2-Arylquinolines as novel anticancer agents with dual EGFR/FAK kinase inhibitory activity: synthesis, biological evaluation, and molecular modelling insights.
Autorzy:: Elbadawi MM; Department of Chemistry, Graduate School of Science, Hiroshima University, Hiroshima, Japan.; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Kafrelsheikh University, Kafrelsheikh, Egypt.
Eldehna WM; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Kafrelsheikh University, Kafrelsheikh, Egypt.
Abd El-Hafeez AA; Pharmacology and Experimental Oncology Unit, Cancer Biology Department, National Cancer Institute, Cairo University, Cairo, Egypt.; Department of Cellular and Molecular Medicine, University of California San Diego, La Jolla, CA, USA.
Somaa WR; Faculty of Pharmacy, Kafrelsheikh University, Kafrelsheikh, Egypt.
Albohy A; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, The British University in Egypt (BUE), Cairo, Egypt.
Al-Rashood ST; Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh, Saudi Arabia.
Agama KK; Developmental Therapeutics Branch, Laboratory of Molecular Pharmacology, Center for Cancer Research, National Cancer Institute, NIH, Bethesda, MD, USA.
Elkaeed EB; Department of Pharmaceutical Sciences, College of Pharmacy, AlMaarefa University, Riyadh, Saudi Arabia.
Ghosh P; Department of Cellular and Molecular Medicine, University of California San Diego, La Jolla, CA, USA.; Department of Medicine, University of California San Diego, La Jolla, CA, USA.; Moores Comprehensive Cancer Center, University of California San Diego, La Jolla, CA, USA.; Veterans Affairs Medical Center, La Jolla, CA, USA.
Pommier Y; Developmental Therapeutics Branch, Laboratory of Molecular Pharmacology, Center for Cancer Research, National Cancer Institute, NIH, Bethesda, MD, USA.
Abe M; Department of Chemistry, Graduate School of Science, Hiroshima University, Hiroshima, Japan.; Pokaż więcej
Źródło:: Journal of enzyme inhibition and medicinal chemistry [J Enzyme Inhib Med Chem] 2022 Dec; Vol. 37 (1), pp. 349-372.
Typ publikacji:: Journal Article
MeSH Terms:: Antineoplastic Agents/*pharmacology
Focal Adhesion Kinase 1/*antagonists & inhibitors
Protein Kinase Inhibitors/*pharmacology
Quinolines/*pharmacology
Antineoplastic Agents/chemical synthesis ; Antineoplastic Agents/chemistry ; Apoptosis/drug effects ; Cell Proliferation/drug effects ; Dose-Response Relationship, Drug ; Drug Screening Assays, Antitumor ; ErbB Receptors/antagonists & inhibitors ; ErbB Receptors/metabolism ; Focal Adhesion Kinase 1/metabolism ; Humans ; Models, Molecular ; Molecular Structure ; Protein Kinase Inhibitors/chemical synthesis ; Protein Kinase Inhibitors/chemistry ; Quinolines/chemical synthesis ; Quinolines/chemistry ; Structure-Activity Relationship ; Tumor Cells, Cultured

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Skocz do pozycji: 9.

Tytuł:: Synthesis of New Thiourea-Metal Complexes with Promising Anticancer Properties.
Autorzy:: Canudo-Barreras G; Departamento de Química Inorgánica, Instituto de Síntesis Química y Catálisis Homogénea (ISQCH), CSIC-Universidad de Zaragoza, C/Pedro Cerbuna 12, 50009 Zaragoza, Spain.; Laboratorio de Organocatálisis Asimétrica, Departamento de Química Orgánica, Instituto de Síntesis Química y Catálisis Homogénea (ISQCH), CSIC-Universidad de Zaragoza, C/Pedro Cerbuna 12, 50009 Zaragoza, Spain.
Ortego L; Departamento de Química Inorgánica, Instituto de Síntesis Química y Catálisis Homogénea (ISQCH), CSIC-Universidad de Zaragoza, C/Pedro Cerbuna 12, 50009 Zaragoza, Spain.
Izaga A; Departamento de Química Inorgánica, Instituto de Síntesis Química y Catálisis Homogénea (ISQCH), CSIC-Universidad de Zaragoza, C/Pedro Cerbuna 12, 50009 Zaragoza, Spain.
Marzo I; Departamento de Bioquímica y Biología Celular, Universidad de Zaragoza, C/Pedro Cerbuna 12, 50009 Zaragoza, Spain.
Herrera RP; Laboratorio de Organocatálisis Asimétrica, Departamento de Química Orgánica, Instituto de Síntesis Química y Catálisis Homogénea (ISQCH), CSIC-Universidad de Zaragoza, C/Pedro Cerbuna 12, 50009 Zaragoza, Spain.
Gimeno MC; Departamento de Química Inorgánica, Instituto de Síntesis Química y Catálisis Homogénea (ISQCH), CSIC-Universidad de Zaragoza, C/Pedro Cerbuna 12, 50009 Zaragoza, Spain.; Pokaż więcej
Źródło:: Molecules (Basel, Switzerland) [Molecules] 2021 Nov 16; Vol. 26 (22). Date of Electronic Publication: 2021 Nov 16.
Typ publikacji:: Journal Article
MeSH Terms:: Antineoplastic Agents*/chemical synthesis
Antineoplastic Agents*/chemistry
Antineoplastic Agents*/pharmacology
Coordination Complexes*/chemical synthesis
Coordination Complexes*/chemistry
Coordination Complexes*/pharmacology
Gold*/chemistry
Gold*/pharmacology
Models, Molecular*
Silver*/chemistry
Silver*/pharmacology
Thiourea*/chemical synthesis
Thiourea*/chemistry
Thiourea*/pharmacology
A549 Cells ; HeLa Cells ; Humans

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Skocz do pozycji: 10.

Tytuł:: AntiCP 2.0: an updated model for predicting anticancer peptides.
Autorzy:: Agrawal P; Department of Computational Biology, Indraprastha Institute of Information Technology, New Delhi, India.
Bhagat D; Indraprastha Institute of Information Technology, New Delhi, India.
Mahalwal M; Indraprastha Institute of Information Technology, New Delhi, India.
Sharma N; Department of Computational Biology, Indraprastha Institute of Information Technology, New Delhi, India.
Raghava GPS; Department of Computational Biology, Indraprastha Institute of Information Technology, New Delhi, India.; Pokaż więcej
Źródło:: Briefings in bioinformatics [Brief Bioinform] 2021 May 20; Vol. 22 (3).
Typ publikacji:: Journal Article
MeSH Terms:: Databases, Protein*
Machine Learning*
Models, Molecular*
Sequence Analysis, Protein*
Software*
Antineoplastic Agents/*chemistry
Peptides/*chemistry
Peptides/*genetics
Antineoplastic Agents/therapeutic use ; Humans ; Neoplasms/drug therapy ; Peptides/therapeutic use ; Predictive Value of Tests

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Skocz do pozycji: 11.

Tytuł:: Investigation of the Anticancer Effect of α -Aminophosphonates and Arylidine Derivatives of 3-Acetyl-1-aminoquinolin-2( 1H )-one on the DMBA Model of Breast Cancer in Albino Rats with In Silico Prediction of Their Thymidylate Synthase Inhibitory Effect.
Autorzy:: Nassan MA; Department of Clinical Laboratory Sciences, Turabah University College, Taif University, P.O. Box 11099, Taif 21944, Saudi Arabia.
Aldhahrani A; Department of Clinical Laboratory Sciences, Turabah University College, Taif University, P.O. Box 11099, Taif 21944, Saudi Arabia.
Amer HH; Department of Chemistry, Turabah University College, Taif University, P.O. Box 11099, Taif 21944, Saudi Arabia.
Elhenawy A; Department of Chemistry, Faculty of Science, Al-Azhar University, Cairo 11884, Egypt.
Swelum AA; Department of Theriogenology, Faculty of Veterinary Medicine, Zagazig University, Zagazig 44519, Egypt.; Department of Animal Production, College of Food and Agriculture Sciences, King Saud University, P.O. Box 2460, Riyadh 11451, Saudi Arabia.
Ali OM; Department of Chemistry, Turabah University College, Taif University, P.O. Box 11099, Taif 21944, Saudi Arabia.
Zaki YH; Department of Chemistry, Faculty of Science, Beni-Suef University, Beni Suef 62514, Egypt.; Department of Chemistry, Faculty of Science and Humanity Studies at Al-Quwayiyah, Shaqra University, Al-Quwayiyah 11961, Saudi Arabia.; Pokaż więcej
Źródło:: Molecules (Basel, Switzerland) [Molecules] 2022 Jan 24; Vol. 27 (3). Date of Electronic Publication: 2022 Jan 24.
Typ publikacji:: Journal Article
MeSH Terms:: Antineoplastic Agents/*therapeutic use
Mammary Neoplasms, Experimental/*drug therapy
Thymidylate Synthase/*antagonists & inhibitors
9,10-Dimethyl-1,2-benzanthracene ; Animals ; Antineoplastic Agents/pharmacology ; Caco-2 Cells ; Computer Simulation ; Drug Evaluation, Preclinical ; Female ; Fishes ; Humans ; Mammary Neoplasms, Experimental/chemically induced ; Mammary Neoplasms, Experimental/pathology ; Models, Molecular ; Molecular Docking Simulation ; Molecular Targeted Therapy/methods ; Organophosphonates/chemical synthesis ; Organophosphonates/chemistry ; Organophosphonates/pharmacology ; Organophosphonates/therapeutic use ; Plant Extracts ; Quinolines/chemical synthesis ; Quinolines/chemistry ; Quinolines/pharmacology ; Quinolines/therapeutic use ; Rats ; Thymidylate Synthase/chemistry

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Skocz do pozycji: 12.

Tytuł:: Lignin Nanoparticles Deliver Novel Thymine Biomimetic Photo-Adducts with Antimelanoma Activity.
Autorzy:: Gabellone S; Department of Ecology and Biology, University of Tuscia, San Camillo De Lellis, 01100 Viterbo, Italy.
Piccinino D; Department of Ecology and Biology, University of Tuscia, San Camillo De Lellis, 01100 Viterbo, Italy.
Filippi S; Department of Ecology and Biology, University of Tuscia, San Camillo De Lellis, 01100 Viterbo, Italy.
Castrignanò T; Department of Ecology and Biology, University of Tuscia, San Camillo De Lellis, 01100 Viterbo, Italy.
Zippilli C; Department of Ecology and Biology, University of Tuscia, San Camillo De Lellis, 01100 Viterbo, Italy.
Del Buono D; Department of Ecology and Biology, University of Tuscia, San Camillo De Lellis, 01100 Viterbo, Italy.
Saladino R; Department of Ecology and Biology, University of Tuscia, San Camillo De Lellis, 01100 Viterbo, Italy.; Pokaż więcej
Źródło:: International journal of molecular sciences [Int J Mol Sci] 2022 Jan 14; Vol. 23 (2). Date of Electronic Publication: 2022 Jan 14.
Typ publikacji:: Journal Article
MeSH Terms:: Biological Mimicry*
Lignin*/chemistry
Nanoparticles*/chemistry
Nanoparticles*/ultrastructure
Antineoplastic Agents/*chemistry
Antineoplastic Agents/*pharmacology
Drug Carriers/*chemistry
Thymine/*chemistry
Biomimetics ; Cell Line, Tumor ; DNA Damage/drug effects ; Drug Delivery Systems ; Humans ; Models, Molecular ; Molecular Conformation ; Molecular Structure ; Photochemistry ; Pyrimidine Dimers/chemistry ; Solvents ; Spectrum Analysis ; Structure-Activity Relationship ; Ultraviolet Rays

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Skocz do pozycji: 13.

Tytuł:: Reactive Oxygen Species Production Is Responsible for Antineoplastic Activity of Osmium, Ruthenium, Iridium and Rhodium Half-Sandwich Type Complexes with Bidentate Glycosyl Heterocyclic Ligands in Various Cancer Cell Models.
Autorzy:: Kacsir I; Department of Organic Chemistry, University of Debrecen, P.O. Box 400, H-4002 Debrecen, Hungary.; Doctoral School of Chemistry, University of Debrecen, P.O. Box 400, H-4002 Debrecen, Hungary.
Sipos A; Department of Medical Chemistry, Faculty of Medicine, University of Debrecen, Egyetem tér 1., H-4032 Debrecen, Hungary.
Bényei A; Department of Physical Chemistry, Faculty of Sciences and Technology, University of Debrecen, Egyetem tér 1., H-4032 Debrecen, Hungary.
Janka E; Department of Dermatology, Faculty of Medicine, University of Debrecen, Egyetem tér 1., H-4032 Debrecen, Hungary.
Buglyó P; Department of Inorganic & Analytical Chemistry, Faculty of Sciences and Technology, University of Debrecen, Egyetem tér 1., H-4032 Debrecen, Hungary.
Somsák L; Department of Organic Chemistry, University of Debrecen, P.O. Box 400, H-4002 Debrecen, Hungary.
Bai P; Department of Medical Chemistry, Faculty of Medicine, University of Debrecen, Egyetem tér 1., H-4032 Debrecen, Hungary.; NKFIH-DE Lendület Laboratory of Cellular Metabolism, H-4032 Debrecen, Hungary.; Research Center for Molecular Medicine, Faculty of Medicine, University of Debrecen, Egyetem tér 1., H-4032 Debrecen, Hungary.
Bokor É; Department of Organic Chemistry, University of Debrecen, P.O. Box 400, H-4002 Debrecen, Hungary.; Pokaż więcej
Źródło:: International journal of molecular sciences [Int J Mol Sci] 2022 Jan 12; Vol. 23 (2). Date of Electronic Publication: 2022 Jan 12.
Typ publikacji:: Journal Article
MeSH Terms:: Antineoplastic Agents/*pharmacology
Coordination Complexes/*pharmacology
Metals, Heavy/*pharmacology
Reactive Oxygen Species/*metabolism
Antineoplastic Agents/chemical synthesis ; Antineoplastic Agents/chemistry ; Cell Line, Tumor ; Cell Survival/drug effects ; Chemistry Techniques, Synthetic ; Coordination Complexes/chemical synthesis ; Coordination Complexes/chemistry ; Dose-Response Relationship, Drug ; Fibroblasts/drug effects ; Fibroblasts/metabolism ; Humans ; Iridium ; Ligands ; Metals, Heavy/chemistry ; Models, Molecular ; Molecular Structure ; Osmium ; Rhodium ; Ruthenium ; Structure-Activity Relationship

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Skocz do pozycji: 14.

Tytuł:: Design, Synthesis, Molecular Modeling and Antitumor Evaluation of Novel Indolyl-Pyrimidine Derivatives with EGFR Inhibitory Activity.
Autorzy:: Ahmed NM; Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Helwan University, Ein-Helwan, Helwan, Cairo 11795, Egypt.
Youns MM; Biochemistry Department, Faculty of Pharmacy, Helwan University, Ein-Helwan, Helwan, Cairo 11795, Egypt.; Oman College of Health Sciences, Muscat 123, Oman.
Soltan MK; Oman College of Health Sciences, Muscat 123, Oman.; Medicinal Chemistry Department, Faculty of Pharmacy, Zagazig University, Zagazig 44519, Egypt.
Said AM; Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Helwan University, Ein-Helwan, Helwan, Cairo 11795, Egypt.; Department of Chemistry, University at Buffalo, The State University of New York, Buffalo, NY 14260, USA.; Pokaż więcej
Źródło:: Molecules (Basel, Switzerland) [Molecules] 2021 Mar 25; Vol. 26 (7). Date of Electronic Publication: 2021 Mar 25.
Typ publikacji:: Journal Article
MeSH Terms:: Antineoplastic Agents*/chemical synthesis
Antineoplastic Agents*/chemistry
Antineoplastic Agents*/pharmacology
Models, Molecular*
Neoplasm Proteins*/antagonists & inhibitors
Neoplasm Proteins*/metabolism
Pyrimidines*/chemical synthesis
Pyrimidines*/chemistry
Pyrimidines*/pharmacology
Neoplasms/*drug therapy
Animals ; ErbB Receptors/antagonists & inhibitors ; ErbB Receptors/metabolism ; HCT116 Cells ; Hep G2 Cells ; Humans ; MCF-7 Cells ; Mice ; Neoplasms/metabolism ; Neoplasms/pathology ; Xenograft Model Antitumor Assays

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Skocz do pozycji: 15.

Tytuł:: Co-Inhibition of P-gp and Hsp90 by an Isatin-Derived Compound Contributes to the Increase of the Chemosensitivity of MCF7/ADR-Resistant Cells to Doxorubicin.
Autorzy:: Abdalla AN; College of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia.; Medicinal and Aromatic Plants Research Institute, National Center for Research, Khartoum 2404, Sudan.
Di Stefano M; Department of Pharmacy, University of Pisa, 56126 Pisa, Italy.
Poli G; Department of Pharmacy, University of Pisa, 56126 Pisa, Italy.
Tuccinardi T; Department of Pharmacy, University of Pisa, 56126 Pisa, Italy.
Bader A; College of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia.
Vassallo A; Dipartimento di Scienze, Università Degli Studi della Basilicata, 85100 Potenza, Italy.
Abdallah ME; Department of Clinical Biochemistry, Faculty of Medicine, Umm Al-Qura University, Makkah 21955, Saudi Arabia.
El-Readi MZ; Department of Clinical Biochemistry, Faculty of Medicine, Umm Al-Qura University, Makkah 21955, Saudi Arabia.; Department of Biochemistry, Faculty of Pharmacy, Al-Azhar University, Assiut 71524, Egypt.
Refaat B; Department of Laboratory Medicine, Faculty of Applied Medical Sciences, Umm Al-Qura University, Makkah 21955, Saudi Arabia.
Algarni AS; College of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia.
Ahmad R; Natural Products and Alternative Medicines, College of Clinical Pharmacy, Imam Abdulrahman Bin Faisal University, Dammam 31441, Saudi Arabia.
Alkahtani HM; College of Pharmacy, King Saud University, Riyadh 11451, Saudi Arabia.
Abdel-Aziz AA; College of Pharmacy, King Saud University, Riyadh 11451, Saudi Arabia.
El-Azab AS; College of Pharmacy, King Saud University, Riyadh 11451, Saudi Arabia.
Alqathama A; College of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia.; Pokaż więcej
Źródło:: Molecules (Basel, Switzerland) [Molecules] 2021 Dec 24; Vol. 27 (1). Date of Electronic Publication: 2021 Dec 24.
Typ publikacji:: Journal Article
MeSH Terms:: ATP Binding Cassette Transporter, Subfamily B, Member 1/*antagonists & inhibitors
Antineoplastic Agents/*pharmacology
Drug Resistance, Multiple/*drug effects
Drug Resistance, Neoplasm/*drug effects
HSP90 Heat-Shock Proteins/*antagonists & inhibitors
Isatin/*pharmacology
Antineoplastic Agents/chemistry ; Apoptosis/drug effects ; Binding Sites ; Cell Line, Tumor ; Cell Proliferation/drug effects ; Dose-Response Relationship, Drug ; Doxorubicin/pharmacology ; Humans ; Inhibitory Concentration 50 ; Isatin/analogs & derivatives ; Isatin/chemistry ; MCF-7 Cells ; Models, Molecular ; Molecular Conformation ; Molecular Structure ; Protein Binding ; Structure-Activity Relationship

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Skocz do pozycji: 16.

Tytuł:: Evaluation of 2-Thioxoimadazolidin-4-one Derivatives as Potent Anti-Cancer Agents through Apoptosis Induction and Antioxidant Activation: In Vitro and In Vivo Approaches.
Autorzy:: Nafie MS; Department of Chemistry, Faculty of Science, Suez Canal University, Ismailia 41522, Egypt.
Khodair AI; Department of Chemistry, Faculty of Science, Kafrelsheikh University, Kafr El Sheikh 33516, Egypt.
Hassan HAY; Institute of Biotechnology for Graduate Studies & Research, Suez Canal University, Ismailia 41522, Egypt.
El-Fadeal NMA; Department of Medical Biochemistry and Molecular Biology, Faculty of Medicine, Suez Canal University, Ismailia 41522, Egypt.
Bogari HA; Department of Pharmacy Practice, Faculty of Pharmacy, King Abdulaziz University, Jeddah 21589, Saudi Arabia.
Elhady SS; Department of Natural Products, Faculty of Pharmacy, King Abdulaziz University, Jeddah 21589, Saudi Arabia.
Ahmed SA; Institute of Biotechnology for Graduate Studies & Research, Suez Canal University, Ismailia 41522, Egypt.; Department of Pharmacognosy, Faculty of Pharmacy, Suez Canal University, Ismailia 41522, Egypt.; Pokaż więcej
Źródło:: Molecules (Basel, Switzerland) [Molecules] 2021 Dec 23; Vol. 27 (1). Date of Electronic Publication: 2021 Dec 23.
Typ publikacji:: Journal Article
MeSH Terms:: Antineoplastic Agents/*chemistry
Antineoplastic Agents/*pharmacology
Antioxidants/*chemistry
Antioxidants/*pharmacology
Apoptosis/*drug effects
Imidazolidines/*chemistry
Imidazolidines/*pharmacology
Animals ; Cell Line, Tumor ; Cell Proliferation/drug effects ; Disease Models, Animal ; Gene Expression Regulation, Neoplastic/drug effects ; Hep G2 Cells ; Humans ; Mice ; Models, Molecular ; Molecular Conformation ; Molecular Structure ; Phosphatidylinositol 3-Kinases/metabolism ; Protein Binding ; Proto-Oncogene Proteins c-akt/metabolism ; Signal Transduction ; Structure-Activity Relationship ; Xenograft Model Antitumor Assays

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Skocz do pozycji: 17.

Tytuł:: 1-Oxo-3,4-dihydroisoquinoline-4-carboxamides as novel druglike inhibitors of poly(ADP-ribose) polymerase (PARP) with favourable ADME characteristics.
Autorzy:: Safrygin A; Saint Petersburg State University, Saint Petersburg, Russian Federation.
Zhmurov P; Saint Petersburg State University, Saint Petersburg, Russian Federation.
Dar'in D; Saint Petersburg State University, Saint Petersburg, Russian Federation.
Silonov S; JSC BIOCAD, Saint Petersburg, Russian Federation.
Kasatkina M; JSC BIOCAD, Saint Petersburg, Russian Federation.
Zonis Y; JSC BIOCAD, Saint Petersburg, Russian Federation.
Gureev M; Digital Biodesign and Personalized Healthcare Research Center, Sechenov First Moscow State Medical University, Moscow, Russian Federation.
Krasavin M; Saint Petersburg State University, Saint Petersburg, Russian Federation.; Immanuel Kant Baltic Federal University, Kaliningrad, Russian Federation.; Pokaż więcej
Źródło:: Journal of enzyme inhibition and medicinal chemistry [J Enzyme Inhib Med Chem] 2021 Dec; Vol. 36 (1), pp. 1968-1983.
Typ publikacji:: Journal Article
MeSH Terms:: Antineoplastic Agents/*pharmacology
Poly(ADP-ribose) Polymerase Inhibitors/*pharmacology
Poly(ADP-ribose) Polymerases/*metabolism
Antineoplastic Agents/chemical synthesis ; Antineoplastic Agents/chemistry ; Dose-Response Relationship, Drug ; Humans ; Models, Molecular ; Molecular Structure ; Poly(ADP-ribose) Polymerase Inhibitors/chemical synthesis ; Poly(ADP-ribose) Polymerase Inhibitors/chemistry ; Structure-Activity Relationship

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Skocz do pozycji: 18.

Tytuł:: Design, synthesis, anticancer evaluation, and molecular modelling studies of novel tolmetin derivatives as potential VEGFR-2 inhibitors and apoptosis inducers.
Autorzy:: Kassab AE; Faculty of Pharmacy, Department of Pharmaceutical Organic Chemistry, Cairo University, Cairo, Egypt.
Gedawy EM; Faculty of Pharmacy, Department of Pharmaceutical Organic Chemistry, Cairo University, Cairo, Egypt.; Faculty of Pharmacy, Department of Pharmaceutical Chemistry, Badr University in Cairo (BUC), Badr City, Egypt.
Hamed MIA; Faculty of Pharmacy, Department of Organic and Medicinal Chemistry, Fayoum University, Fayoum, Egypt.
Doghish AS; Faculty of Pharmacy (Boys), Department of Biochemistry, Al-Azhar University, Nasr City, Cairo, Egypt.; Faculty of Pharmacy, Department of Biochemistry, Badr University in Cairo (BUC), Badr City, Egypt.
Hassan RA; Faculty of Pharmacy, Department of Pharmaceutical Organic Chemistry, Cairo University, Cairo, Egypt.; Pokaż więcej
Źródło:: Journal of enzyme inhibition and medicinal chemistry [J Enzyme Inhib Med Chem] 2021 Dec; Vol. 36 (1), pp. 922-939.
Typ publikacji:: Journal Article
MeSH Terms:: Drug Design*
Antineoplastic Agents/*pharmacology
Apoptosis/*drug effects
Protein Kinase Inhibitors/*pharmacology
Tolmetin/*pharmacology
Vascular Endothelial Growth Factor Receptor-2/*antagonists & inhibitors
Antineoplastic Agents/chemical synthesis ; Antineoplastic Agents/chemistry ; Cell Line, Tumor ; Cell Proliferation/drug effects ; Dose-Response Relationship, Drug ; Drug Screening Assays, Antitumor ; Humans ; Models, Molecular ; Molecular Structure ; Protein Kinase Inhibitors/chemical synthesis ; Protein Kinase Inhibitors/chemistry ; Structure-Activity Relationship ; Tolmetin/chemical synthesis ; Tolmetin/chemistry ; Vascular Endothelial Growth Factor Receptor-2/metabolism

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Skocz do pozycji: 19.

Tytuł:: Design, synthesis, and biological evaluation of 5-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)-1 H -Indole-2-Carbohydrazide derivatives: the methuosis inducer 12A as a Novel and selective anticancer agent.
Autorzy:: Wu J; School of Pharmaceutical Sciences and School of Public Health, Xiamen University, Xiamen 361102, China.
Hu H; Xingzhi College, Zhejiang Normal University, Lanxi, China.
Ao M; School of Pharmaceutical Sciences and School of Public Health, Xiamen University, Xiamen 361102, China.
Cui Z; School of Pharmaceutical Sciences and School of Public Health, Xiamen University, Xiamen 361102, China.
Zhou X; School of Pharmaceutical Sciences and School of Public Health, Xiamen University, Xiamen 361102, China.
Qin J; School of Pharmaceutical Sciences and School of Public Health, Xiamen University, Xiamen 361102, China.
Guo Y; School of Pharmaceutical Sciences and School of Public Health, Xiamen University, Xiamen 361102, China.
Chen J; School of Pharmaceutical Sciences and School of Public Health, Xiamen University, Xiamen 361102, China.
Xue Y; School of Pharmaceutical Sciences and School of Public Health, Xiamen University, Xiamen 361102, China.
Fang M; School of Pharmaceutical Sciences and School of Public Health, Xiamen University, Xiamen 361102, China.; Pokaż więcej
Źródło:: Journal of enzyme inhibition and medicinal chemistry [J Enzyme Inhib Med Chem] 2021 Dec; Vol. 36 (1), pp. 1436-1453.
Typ publikacji:: Journal Article
MeSH Terms:: Drug Design*
Antineoplastic Agents/*pharmacology
Hydrazines/*pharmacology
Animals ; Antineoplastic Agents/chemical synthesis ; Antineoplastic Agents/chemistry ; Apoptosis/drug effects ; Cell Proliferation/drug effects ; Cell Survival/drug effects ; Dose-Response Relationship, Drug ; Drug Screening Assays, Antitumor ; Endoplasmic Reticulum/drug effects ; Endoplasmic Reticulum/metabolism ; Humans ; Hydrazines/chemical synthesis ; Hydrazines/chemistry ; Mammary Neoplasms, Experimental/drug therapy ; Mammary Neoplasms, Experimental/metabolism ; Mammary Neoplasms, Experimental/pathology ; Mice ; Models, Molecular ; Molecular Structure ; Structure-Activity Relationship ; Tumor Cells, Cultured

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Skocz do pozycji: 20.

Tytuł:: Design, synthesis, and analysis of antiproliferative and apoptosis-inducing activities of nitrile derivatives containing a benzofuran scaffold: EGFR inhibition assay and molecular modelling study.
Autorzy:: Fares S; Faculty of Pharmacy, Department of Pharmaceutical Organic Chemistry, Mansoura University, Mansoura, Egypt.; Faculty of Pharmacy, Department of Pharmaceutical Chemistry, Delta University for Science and Technology, Gamasa City, Egypt.
Selim KB; Faculty of Pharmacy, Department of Pharmaceutical Organic Chemistry, Mansoura University, Mansoura, Egypt.
Goda FE; Faculty of Pharmacy, Department of Pharmaceutical Organic Chemistry, Mansoura University, Mansoura, Egypt.
El-Sayed MAA; Faculty of Pharmacy, Department of Pharmaceutical Organic Chemistry, Mansoura University, Mansoura, Egypt.; Department of Pharmaceutical Chemistry, Horus University, New Dammeitta, Egypt.
AlSaif NA; Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh, Saudi Arabia.
Hefnawy MM; Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh, Saudi Arabia.
Abdel-Aziz AA; Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh, Saudi Arabia.
El-Azab AS; Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh, Saudi Arabia.; Pokaż więcej
Źródło:: Journal of enzyme inhibition and medicinal chemistry [J Enzyme Inhib Med Chem] 2021 Dec; Vol. 36 (1), pp. 1488-1499.
Typ publikacji:: Journal Article
MeSH Terms:: Drug Design*
Antineoplastic Agents/*pharmacology
Benzofurans/*pharmacology
Nitriles/*pharmacology
Protein Kinase Inhibitors/*pharmacology
Antineoplastic Agents/chemical synthesis ; Antineoplastic Agents/chemistry ; Benzofurans/chemical synthesis ; Benzofurans/chemistry ; Cell Line, Tumor ; Cell Proliferation/drug effects ; Dose-Response Relationship, Drug ; Drug Screening Assays, Antitumor ; ErbB Receptors/antagonists & inhibitors ; ErbB Receptors/metabolism ; Humans ; Models, Molecular ; Molecular Structure ; Nitriles/chemical synthesis ; Nitriles/chemistry ; Protein Kinase Inhibitors/chemical synthesis ; Protein Kinase Inhibitors/chemistry ; Structure-Activity Relationship

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