المؤلفون: Batista-Silva JP; CICS-UBI-Health Sciences Research Centre, University of Beira Interior, 6201-506 Covilhã, Portugal; UCIBIO-Applied Molecular Biosciences Unit, Chemistry Department, NOVA School of Science and Technology, Universidade NOVA de Lisboa, 2829-516 Caparica, Portugal; Associate Laboratory i4HB-Institute for Health and Bioeconomy, NOVA School of Science and Technology, Universidade NOVA de Lisboa, 2819-516 Caparica, Portugal., Gomes D; CICS-UBI-Health Sciences Research Centre, University of Beira Interior, 6201-506 Covilhã, Portugal; UCIBIO-Applied Molecular Biosciences Unit, Chemistry Department, NOVA School of Science and Technology, Universidade NOVA de Lisboa, 2829-516 Caparica, Portugal; Associate Laboratory i4HB-Institute for Health and Bioeconomy, NOVA School of Science and Technology, Universidade NOVA de Lisboa, 2819-516 Caparica, Portugal., Sousa SF; LAQV/REQUIMTE, BioSIM - Department of Medicine, Faculty of Medicine, University of Porto, Alameda Prof. Hernâni Monteiro, 4200-319 Porto, Portugal., Sousa Â; CICS-UBI-Health Sciences Research Centre, University of Beira Interior, 6201-506 Covilhã, Portugal. Electronic address: angela@fcsaude.ubi.pt., Passarinha LA; CICS-UBI-Health Sciences Research Centre, University of Beira Interior, 6201-506 Covilhã, Portugal; UCIBIO-Applied Molecular Biosciences Unit, Chemistry Department, NOVA School of Science and Technology, Universidade NOVA de Lisboa, 2829-516 Caparica, Portugal; Associate Laboratory i4HB-Institute for Health and Bioeconomy, NOVA School of Science and Technology, Universidade NOVA de Lisboa, 2819-516 Caparica, Portugal; Laboratório de Fármaco-Toxicologia-UBIMedical, University of Beira Interior, 6200-284 Covilhã, Portugal. Electronic address: lpassarinha@fcsaude.ubi.pt.

المصدر: Drug discovery today [Drug Discov Today] 2024 Sep; Vol. 29 (9), pp. 104130. Date of Electronic Publication: 2024 Aug 03.

نوع المنشور: Journal Article; Review

بيانات الدورية: Publisher: Elsevier Science Ltd. Country of Publication: England NLM ID: 9604391 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1878-5832 (Electronic) Linking ISSN: 13596446 NLM ISO Abbreviation: Drug Discov Today Subsets: MEDLINE

مواضيع طبية MeSH: Prostatic Neoplasms*/drug therapy , Drug Design* , Membrane Proteins*/metabolism , Membrane Proteins*/antagonists & inhibitors , Biomarkers, Tumor*/metabolism, Humans ; Male ; Antineoplastic Agents/pharmacology ; Antineoplastic Agents/therapeutic use ; Antineoplastic Agents/chemistry ; Computer-Aided Design ; Animals

المؤلفون: Deng W; State Key Laboratory of Bioactive Molecules and Druggability Assessment, International Cooperative Laboratory of Traditional Chinese Medicine Modernization and Innovative Drug Discovery of Chinese Ministry of Education (MOE), School of Pharmacy, Jinan University, #855 Xingye Avenue, Guangzhou, 510632, China., Chen X; Department of Oncology, NHC Key Laboratory of Cancer Proteomics, State Local Joint Engineering Laboratory for Anticancer Drugs, Xiangya Hospital, Central South University, Changsha, Hunan, 410008, China., Liang H; State Key Laboratory of Bioactive Molecules and Druggability Assessment, International Cooperative Laboratory of Traditional Chinese Medicine Modernization and Innovative Drug Discovery of Chinese Ministry of Education (MOE), School of Pharmacy, Jinan University, #855 Xingye Avenue, Guangzhou, 510632, China., Song X; State Key Laboratory of Bioactive Molecules and Druggability Assessment, International Cooperative Laboratory of Traditional Chinese Medicine Modernization and Innovative Drug Discovery of Chinese Ministry of Education (MOE), School of Pharmacy, Jinan University, #855 Xingye Avenue, Guangzhou, 510632, China., Xiang S; State Key Laboratory of Bioactive Molecules and Druggability Assessment, International Cooperative Laboratory of Traditional Chinese Medicine Modernization and Innovative Drug Discovery of Chinese Ministry of Education (MOE), School of Pharmacy, Jinan University, #855 Xingye Avenue, Guangzhou, 510632, China., Guo J; State Key Laboratory of Bioactive Molecules and Druggability Assessment, International Cooperative Laboratory of Traditional Chinese Medicine Modernization and Innovative Drug Discovery of Chinese Ministry of Education (MOE), School of Pharmacy, Jinan University, #855 Xingye Avenue, Guangzhou, 510632, China., Tu Z; State Key Laboratory of Bioactive Molecules and Druggability Assessment, International Cooperative Laboratory of Traditional Chinese Medicine Modernization and Innovative Drug Discovery of Chinese Ministry of Education (MOE), School of Pharmacy, Jinan University, #855 Xingye Avenue, Guangzhou, 510632, China., Zhou Y; State Key Laboratory of Bioactive Molecules and Druggability Assessment, International Cooperative Laboratory of Traditional Chinese Medicine Modernization and Innovative Drug Discovery of Chinese Ministry of Education (MOE), School of Pharmacy, Jinan University, #855 Xingye Avenue, Guangzhou, 510632, China. Electronic address: zhouyang@jnu.edu.cn., Chen Y; Department of Oncology, NHC Key Laboratory of Cancer Proteomics, State Local Joint Engineering Laboratory for Anticancer Drugs, Xiangya Hospital, Central South University, Changsha, Hunan, 410008, China. Electronic address: yonghenc@163.com., Lu X; State Key Laboratory of Bioactive Molecules and Druggability Assessment, International Cooperative Laboratory of Traditional Chinese Medicine Modernization and Innovative Drug Discovery of Chinese Ministry of Education (MOE), School of Pharmacy, Jinan University, #855 Xingye Avenue, Guangzhou, 510632, China; Department of Hematology, Guangdong Second Provincial General Hospital, Jinan University, Guangzhou, 510632, China. Electronic address: luxy2016@jnu.edu.cn.

المصدر: European journal of medicinal chemistry [Eur J Med Chem] 2024 Sep 05; Vol. 275, pp. 116558. Date of Electronic Publication: 2024 Jun 09.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Editions Scientifiques Elsevier Country of Publication: France NLM ID: 0420510 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1768-3254 (Electronic) Linking ISSN: 02235234 NLM ISO Abbreviation: Eur J Med Chem Subsets: MEDLINE

مواضيع طبية MeSH: Antineoplastic Agents*/pharmacology , Antineoplastic Agents*/chemical synthesis , Antineoplastic Agents*/chemistry , Cell Proliferation*/drug effects , Drug Design* , Pyrazoles*/pharmacology , Pyrazoles*/chemistry , Pyrazoles*/chemical synthesis , Receptors, Fibroblast Growth Factor*/antagonists & inhibitors , Receptors, Fibroblast Growth Factor*/metabolism , Tyrosine Kinase Inhibitors*/chemical synthesis , Tyrosine Kinase Inhibitors*/chemistry , Tyrosine Kinase Inhibitors*/pharmacology, Humans ; Cell Line, Tumor ; Dose-Response Relationship, Drug ; Drug Screening Assays, Antitumor ; Models, Molecular ; Molecular Structure ; Receptor, Fibroblast Growth Factor, Type 1/antagonists & inhibitors ; Receptor, Fibroblast Growth Factor, Type 1/metabolism ; Structure-Activity Relationship

المؤلفون: Tong J; Hubei province Key Laboratory of Science in Metallurgical Process, Wuhan University of Science and Technology, Wuhan 430081, China., Shu J; Hubei province Key Laboratory of Science in Metallurgical Process, Wuhan University of Science and Technology, Wuhan 430081, China., Wang Y; Hubei province Key Laboratory of Science in Metallurgical Process, Wuhan University of Science and Technology, Wuhan 430081, China. Electronic address: wangyuhua@wust.edu.cn., Qi Y; Hubei province Key Laboratory of Science in Metallurgical Process, Wuhan University of Science and Technology, Wuhan 430081, China., Wang Y; Department of Nephrology, Union Hospital, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430022, China. Electronic address: wangyumei75@hust.edu.cn.

المصدر: Life sciences [Life Sci] 2024 Sep 01; Vol. 352, pp. 122904. Date of Electronic Publication: 2024 Jul 08.

نوع المنشور: Journal Article; Review

بيانات الدورية: Publisher: Elsevier Country of Publication: Netherlands NLM ID: 0375521 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1879-0631 (Electronic) Linking ISSN: 00243205 NLM ISO Abbreviation: Life Sci Subsets: MEDLINE

مواضيع طبية MeSH: Sulfones*/chemistry , Sulfones*/chemical synthesis , Sulfones*/pharmacology , Drug Design*, Humans ; Molecular Structure ; Biological Products/chemical synthesis ; Biological Products/chemistry ; Biological Products/pharmacology

المؤلفون: Giladi M; School of Chemistry, The University of Sydney, 2050, Sydney, NSW, Australia., Montgomery AP; School of Chemistry, The University of Sydney, 2050, Sydney, NSW, Australia., Kassiou M; School of Chemistry, The University of Sydney, 2050, Sydney, NSW, Australia. Electronic address: michael.kassiou@sydney.edu.au., Danon JJ; School of Chemistry, The University of Sydney, 2050, Sydney, NSW, Australia. Electronic address: jonathan.danon@sydney.edu.au.

المصدر: Biochimie [Biochimie] 2024 Sep; Vol. 224, pp. 41-50. Date of Electronic Publication: 2024 May 22.

نوع المنشور: Journal Article; Review

بيانات الدورية: Publisher: Editions Scientifiques Elsevier Country of Publication: France NLM ID: 1264604 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1638-6183 (Electronic) Linking ISSN: 03009084 NLM ISO Abbreviation: Biochimie Subsets: MEDLINE

مواضيع طبية MeSH: Receptors, GABA*/metabolism , Receptors, GABA*/chemistry , Drug Design*, Humans ; Animals ; Ligands ; Models, Molecular

المؤلفون: Pala D; Medicinal Chemistry and Drug Design Technologies Department, Chiesi Farmaceutici S.p.A, Research Center, Largo Belloli 11/a, 43122 Parma, Italy., Clark DE; Charles River, 6-9 Spire Green Centre, Flex Meadow, Harlow CM19 5TR, UK. Electronic address: d.pala@chiesi.com.

المصدر: Drug discovery today [Drug Discov Today] 2024 Sep; Vol. 29 (9), pp. 104106. Date of Electronic Publication: 2024 Jul 17.

نوع المنشور: Journal Article; Review

بيانات الدورية: Publisher: Elsevier Science Ltd. Country of Publication: England NLM ID: 9604391 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1878-5832 (Electronic) Linking ISSN: 13596446 NLM ISO Abbreviation: Drug Discov Today Subsets: MEDLINE

مواضيع طبية MeSH: Drug Design* , rho-Associated Kinases*/antagonists & inhibitors, Humans ; Computer-Aided Design ; Structure-Activity Relationship ; Protein Kinase Inhibitors/chemistry ; Protein Kinase Inhibitors/pharmacology

المؤلفون: Zhuo Z; Key Laboratory of Chemical Biology (Ministry of Education), Department of Medicinal Chemistry, School of Pharmaceutical Sciences, Cheeloo College of Medicine, Shandong University, 44 West Culture Road, Jinan 250012, China., Wang Z; Key Laboratory of Chemical Biology (Ministry of Education), Department of Medicinal Chemistry, School of Pharmaceutical Sciences, Cheeloo College of Medicine, Shandong University, 44 West Culture Road, Jinan 250012, China., Jing L; Key Laboratory of Chemical Biology (Ministry of Education), Department of Medicinal Chemistry, School of Pharmaceutical Sciences, Cheeloo College of Medicine, Shandong University, 44 West Culture Road, Jinan 250012, China., Zhang T; Key Laboratory of Chemical Biology (Ministry of Education), Department of Medicinal Chemistry, School of Pharmaceutical Sciences, Cheeloo College of Medicine, Shandong University, 44 West Culture Road, Jinan 250012, China., Ge A; Key Laboratory of Chemical Biology (Ministry of Education), Department of Medicinal Chemistry, School of Pharmaceutical Sciences, Cheeloo College of Medicine, Shandong University, 44 West Culture Road, Jinan 250012, China., Zhou Z; Key Laboratory of Chemical Biology (Ministry of Education), Department of Medicinal Chemistry, School of Pharmaceutical Sciences, Cheeloo College of Medicine, Shandong University, 44 West Culture Road, Jinan 250012, China., Liu Y; Key Laboratory of Chemical Biology (Ministry of Education), Department of Medicinal Chemistry, School of Pharmaceutical Sciences, Cheeloo College of Medicine, Shandong University, 44 West Culture Road, Jinan 250012, China., Li X; Key Laboratory of Chemical Biology (Ministry of Education), Department of Medicinal Chemistry, School of Pharmaceutical Sciences, Cheeloo College of Medicine, Shandong University, 44 West Culture Road, Jinan 250012, China., De Clercq E; Laboratory of Virology and Chemotherapy, Rega Institute for Medical Research, K.U. Leuven, Herestraat 49 Postbus 1043 (09.A097), B-3000 Leuven, Belgium., Pannecouque C; Laboratory of Virology and Chemotherapy, Rega Institute for Medical Research, K.U. Leuven, Herestraat 49 Postbus 1043 (09.A097), B-3000 Leuven, Belgium., Zhan P; Key Laboratory of Chemical Biology (Ministry of Education), Department of Medicinal Chemistry, School of Pharmaceutical Sciences, Cheeloo College of Medicine, Shandong University, 44 West Culture Road, Jinan 250012, China.; China-Belgium Collaborative Research Center for Innovative Antiviral Drugs of Shandong Province, Shandong University, 44 West Culture Road, Jinan 250012, China., Liu X; Key Laboratory of Chemical Biology (Ministry of Education), Department of Medicinal Chemistry, School of Pharmaceutical Sciences, Cheeloo College of Medicine, Shandong University, 44 West Culture Road, Jinan 250012, China.; China-Belgium Collaborative Research Center for Innovative Antiviral Drugs of Shandong Province, Shandong University, 44 West Culture Road, Jinan 250012, China., Kang D; Key Laboratory of Chemical Biology (Ministry of Education), Department of Medicinal Chemistry, School of Pharmaceutical Sciences, Cheeloo College of Medicine, Shandong University, 44 West Culture Road, Jinan 250012, China.; China-Belgium Collaborative Research Center for Innovative Antiviral Drugs of Shandong Province, Shandong University, 44 West Culture Road, Jinan 250012, China.

المصدر: International journal of molecular sciences [Int J Mol Sci] 2024 Aug 20; Vol. 25 (16). Date of Electronic Publication: 2024 Aug 20.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: MDPI Country of Publication: Switzerland NLM ID: 101092791 Publication Model: Electronic Cited Medium: Internet ISSN: 1422-0067 (Electronic) Linking ISSN: 14220067 NLM ISO Abbreviation: Int J Mol Sci Subsets: MEDLINE

مواضيع طبية MeSH: Reverse Transcriptase Inhibitors*/pharmacology , Reverse Transcriptase Inhibitors*/chemistry , Reverse Transcriptase Inhibitors*/chemical synthesis , HIV Reverse Transcriptase*/antagonists & inhibitors , HIV Reverse Transcriptase*/metabolism , HIV-1*/drug effects , HIV-1*/enzymology , Pyrimidines*/pharmacology , Pyrimidines*/chemistry , Pyrimidines*/chemical synthesis , Thiophenes*/pharmacology , Thiophenes*/chemistry , Thiophenes*/chemical synthesis , Anti-HIV Agents*/pharmacology , Anti-HIV Agents*/chemistry , Anti-HIV Agents*/chemical synthesis , Drug Design* , Amino Acids*/chemistry, Humans ; Structure-Activity Relationship ; Molecular Docking Simulation

المؤلفون: Agar S; Kocaeli Health and Technology University, Faculty of Pharmacy, Kocaeli 41275, Türkiye., Mokhtari M; Kocaeli Health and Technology University, Faculty of Pharmacy, Kocaeli 41275, Türkiye., Yanik M; Graduate Software System Manager, Vocational School of Computer Programming, Ankara University, Ankara, Türkiye., Akkurt B; Istanbul Technical University, Faculty of Science and Letters, Department of Chemistry, Istanbul, Türkiye., Ulukaya E; Istinye University Medical Faculty, Clinical Biochemistry Department, Istanbul, Türkiye., Terzi R; Kocaeli Health and Technology University, Faculty of Health Sciences, Kocaeli 41275, Türkiye.

المصدر: Asian Pacific journal of cancer prevention : APJCP [Asian Pac J Cancer Prev] 2024 Aug 01; Vol. 25 (8), pp. 2905-2909. Date of Electronic Publication: 2024 Aug 01.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Asian Pacific Organization for Cancer Prevention Country of Publication: Thailand NLM ID: 101130625 Publication Model: Electronic Cited Medium: Internet ISSN: 2476-762X (Electronic) Linking ISSN: 15137368 NLM ISO Abbreviation: Asian Pac J Cancer Prev Subsets: MEDLINE

مواضيع طبية MeSH: Molecular Docking Simulation* , Antineoplastic Agents*/pharmacology , Antineoplastic Agents*/chemistry , Mouth Neoplasms*/drug therapy , Mouth Neoplasms*/pathology , Head and Neck Neoplasms*/drug therapy , Head and Neck Neoplasms*/metabolism , Head and Neck Neoplasms*/pathology , Drug Design* , Molecular Dynamics Simulation*, Humans ; Transforming Growth Factor beta/metabolism ; Transforming Growth Factor beta/antagonists & inhibitors

المؤلفون: Gallego RA; Oncology, Pfizer Inc, San Diego, CA, USA., Edwards MP; Oncology, Pfizer Inc, San Diego, CA, USA., Montgomery TP; Oncology, Pfizer Inc, San Diego, CA, USA.

المصدر: Expert opinion on drug discovery [Expert Opin Drug Discov] 2024 Aug; Vol. 19 (8), pp. 917-931. Date of Electronic Publication: 2024 Jun 26.

نوع المنشور: Journal Article; Review

بيانات الدورية: Publisher: Taylor & Francis Country of Publication: England NLM ID: 101295755 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1746-045X (Electronic) Linking ISSN: 17460441 NLM ISO Abbreviation: Expert Opin Drug Discov Subsets: MEDLINE

مواضيع طبية MeSH: Drug Design*/methods , Solubility*, Humans ; Animals ; Pharmaceutical Preparations/chemistry ; Pharmaceutical Preparations/administration & dosage ; Permeability ; Lipids/chemistry ; Drug Development/methods

المؤلفون: Vitali V; Laboratory of Metals in Medicine (MetMed), Department of Chemistry 'Ugo Schiff', University of Florence, Sesto Fiorentino, Italy., Massai L; Laboratory of Metals in Medicine (MetMed), Department of Chemistry 'Ugo Schiff', University of Florence, Sesto Fiorentino, Italy., Messori L; Laboratory of Metals in Medicine (MetMed), Department of Chemistry 'Ugo Schiff', University of Florence, Sesto Fiorentino, Italy.

المصدر: Expert opinion on drug discovery [Expert Opin Drug Discov] 2024 Jul; Vol. 19 (7), pp. 855-867. Date of Electronic Publication: 2024 May 27.

نوع المنشور: Journal Article; Review

بيانات الدورية: Publisher: Taylor & Francis Country of Publication: England NLM ID: 101295755 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1746-045X (Electronic) Linking ISSN: 17460441 NLM ISO Abbreviation: Expert Opin Drug Discov Subsets: MEDLINE

مواضيع طبية MeSH: Auranofin*/pharmacology , Drug Design* , Antineoplastic Agents*/pharmacology , Antineoplastic Agents*/chemistry , Antineoplastic Agents*/chemical synthesis , Neoplasms*/drug therapy, Humans ; Structure-Activity Relationship ; Animals ; Drug Repositioning

المؤلفون: Bai Q; School of Basic Medical Sciences, Lanzhou University, Lanzhou 730000, Gansu, PR China. Electronic address: baiqf@lzu.edu.cn., Xu T; Tencent AI Lab, Shenzhen 518000, PR China. Electronic address: tingyangxu@tencent.com., Huang J; Department of Computer Science and Engineering, the University of Texas at Arlington, Arlington, TX 76019, USA., Pérez-Sánchez H; Structural Bioinformatics and High Performance Computing Research Group (BIO-HPC), Computer Engineering Department, UCAM Universidad Católica de Murcia, Murcia 30107, Spain. Electronic address: hperez@ucam.edu.

المصدر: Drug discovery today [Drug Discov Today] 2024 Jul; Vol. 29 (7), pp. 104024. Date of Electronic Publication: 2024 May 16.

نوع المنشور: Journal Article; Review

بيانات الدورية: Publisher: Elsevier Science Ltd. Country of Publication: England NLM ID: 9604391 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1878-5832 (Electronic) Linking ISSN: 13596446 NLM ISO Abbreviation: Drug Discov Today Subsets: MEDLINE

مواضيع طبية MeSH: Deep Learning* , Drug Design* , Neural Networks, Computer*, Drug Discovery/methods ; Humans ; Molecular Structure