المؤلفون: Kamble P; Department of Pharmacoinformatics, National Institute of Pharmaceutical Education and Research, S.A.S. Nagar, Punjab, India., Nagar PR; Department of Pharmacoinformatics, National Institute of Pharmaceutical Education and Research, S.A.S. Nagar, Punjab, India., Bhakhar KA; Department of Pharmacoinformatics, National Institute of Pharmaceutical Education and Research, S.A.S. Nagar, Punjab, India., Garg P; Department of Pharmacoinformatics, National Institute of Pharmaceutical Education and Research, S.A.S. Nagar, Punjab, India., Sobhia ME; Department of Pharmacoinformatics, National Institute of Pharmaceutical Education and Research, S.A.S. Nagar, Punjab, India., Naidu S; Center of Biomedical Engineering, Indian Institute of Technology Ropar, Rupnagar, Punjab, India., Bharatam PV; Department of Pharmacoinformatics, National Institute of Pharmaceutical Education and Research, S.A.S. Nagar, Punjab, India. pvbharatam@niper.ac.in.; Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research, S.A.S. Nagar, Punjab, India. pvbharatam@niper.ac.in.

المصدر: Functional & integrative genomics [Funct Integr Genomics] 2024 Sep 19; Vol. 24 (5), pp. 166. Date of Electronic Publication: 2024 Sep 19.

نوع المنشور: Journal Article; Review

بيانات الدورية: Publisher: Springer Country of Publication: Germany NLM ID: 100939343 Publication Model: Electronic Cited Medium: Internet ISSN: 1438-7948 (Electronic) Linking ISSN: 1438793X NLM ISO Abbreviation: Funct Integr Genomics Subsets: MEDLINE

مواضيع طبية MeSH: Neoplasms*/drug therapy , Neoplasms*/genetics , Drug Discovery*, Humans ; Computational Biology/methods ; Antineoplastic Agents/therapeutic use ; Databases, Factual ; Software ; Machine Learning

المؤلفون: Dunge A; Department of Chemistry and Molecular Biology, University of Gothenburg, Box 462, SE-405 30 Gothenburg, Sweden., Phan C; Department of Chemistry and Molecular Biology, University of Gothenburg, Box 462, SE-405 30 Gothenburg, Sweden., Uwangue O; Department of Chemistry and Molecular Biology, University of Gothenburg, Box 462, SE-405 30 Gothenburg, Sweden., Bjelcic M; Department of Chemistry and Molecular Biology, University of Gothenburg, Box 462, SE-405 30 Gothenburg, Sweden., Gunnarsson J; Discovery Biology, Discovery Sciences, BioPharmaceuticals R&D, AstraZeneca, Pepparedsleden 1, SE-431 83 Gothenburg, Sweden., Wehlander G; Department of Chemistry and Molecular Biology, University of Gothenburg, Box 462, SE-405 30 Gothenburg, Sweden., Käck H; Mechanistic and Structural Biology, Discovery Sciences, BioPharmaceuticals R&D, AstraZeneca, Pepparedsleden 1, SE-431 83 Gothenburg, Sweden., Brändén G; Department of Chemistry and Molecular Biology, University of Gothenburg, Box 462, SE-405 30 Gothenburg, Sweden.

المصدر: IUCrJ [IUCrJ] 2024 Sep 01; Vol. 11 (Pt 5), pp. 831-842. Date of Electronic Publication: 2024 Sep 01.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: International Union of Crystallography Country of Publication: England NLM ID: 101623101 Publication Model: Electronic Cited Medium: Internet ISSN: 2052-2525 (Electronic) Linking ISSN: 20522525 NLM ISO Abbreviation: IUCrJ Subsets: MEDLINE

مواضيع طبية MeSH: Drug Discovery*/methods , Epoxide Hydrolases*/chemistry , Epoxide Hydrolases*/antagonists & inhibitors , Epoxide Hydrolases*/metabolism, Crystallography, X-Ray/methods ; Protein Conformation ; Ligands ; Humans ; Temperature ; Models, Molecular ; Crystallography/methods ; Crystallization

المؤلفون: Manen-Freixa L; Oncobell Division, Bellvitge Biomedical Research Institute (IDIBELL) and ProCURE Department, Catalan Institute of Oncology (ICO), Barcelona, Spain., Antolin AA; Oncobell Division, Bellvitge Biomedical Research Institute (IDIBELL) and ProCURE Department, Catalan Institute of Oncology (ICO), Barcelona, Spain.; Center for Cancer Drug Discovery, The Division of Cancer Therapeutics, The Institute of Cancer Research, London, UK.

المصدر: Expert opinion on drug discovery [Expert Opin Drug Discov] 2024 Sep; Vol. 19 (9), pp. 1043-1069. Date of Electronic Publication: 2024 Jul 14.

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 Discovery*/methods , Polypharmacology* , Algorithms* , Computational Biology*/methods, Humans ; Cheminformatics/methods ; Animals

المؤلفون: Guo Y; Inner Mongolia University, College of Computer Science, Hohhot, 010000, China., Gao Y; Inner Mongolia University, College of Computer Science, Hohhot, 010000, China. Electronic address: gaoyongqiang@imu.edu.cn., Song J; Inner Mongolia University, College of Computer Science, Hohhot, 010000, China.

المصدر: Journal of biomedical informatics [J Biomed Inform] 2024 Sep; Vol. 157, pp. 104712. Date of Electronic Publication: 2024 Aug 23.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Elsevier Country of Publication: United States NLM ID: 100970413 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1532-0480 (Electronic) Linking ISSN: 15320464 NLM ISO Abbreviation: J Biomed Inform Subsets: MEDLINE

مواضيع طبية MeSH: Drug Discovery*/methods, Humans ; Neural Networks, Computer ; Machine Learning ; Algorithms ; Cluster Analysis ; Privacy ; Precision Medicine/methods

المؤلفون: Gangwal A; Department of Natural Product Chemistry, Shri Vile Parle Kelavani Mandal's Institute of Pharmacy, Dhule, 424001, Maharashtra, India. Electronic address: gangwal.amit@gmail.com., Ansari A; Computer Aided Drug Design Center, Shri Vile Parle Kelavani Mandal's Institute of Pharmacy, Dhule, 424001, Maharashtra, India., Ahmad I; Department of Pharmaceutical Chemistry, Prof. Ravindra Nikam College of Pharmacy, Gondur, Dhule, 424002, Maharashtra, India. Electronic address: ansariiqrar50@gmail.com., Azad AK; Faculty of Pharmacy, University College of MAIWP International, Batu Caves, 68100, Kuala Lumpur, Malaysia. Electronic address: azad2011iium@gmail.com., Wan Sulaiman WMA; Faculty of Pharmacy, University College of MAIWP International, Batu Caves, 68100, Kuala Lumpur, Malaysia. Electronic address: drwanazizi@ucmi.edu.my.

المصدر: Computers in biology and medicine [Comput Biol Med] 2024 Sep; Vol. 179, pp. 108734. Date of Electronic Publication: 2024 Jul 03.

نوع المنشور: Journal Article; Review

بيانات الدورية: Publisher: Elsevier Country of Publication: United States NLM ID: 1250250 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1879-0534 (Electronic) Linking ISSN: 00104825 NLM ISO Abbreviation: Comput Biol Med Subsets: MEDLINE

مواضيع طبية MeSH: Drug Discovery*/methods , Artificial Intelligence*, Humans ; Machine Learning ; Deep Learning

المؤلفون: Kathayat D; Microbiology and Immunology, Cornell University, Ithaca, NY 14853, USA., VanderVen BC; Microbiology and Immunology, Cornell University, Ithaca, NY 14853, USA. Electronic address: bcv8@cornell.edu.

المصدر: Trends in microbiology [Trends Microbiol] 2024 Sep; Vol. 32 (9), pp. 874-883. Date of Electronic Publication: 2024 Feb 14.

نوع المنشور: Journal Article; Review

بيانات الدورية: Publisher: Elsevier Trends Journals Country of Publication: England NLM ID: 9310916 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1878-4380 (Electronic) Linking ISSN: 0966842X NLM ISO Abbreviation: Trends Microbiol Subsets: MEDLINE

مواضيع طبية MeSH: Mycobacterium tuberculosis*/drug effects , Mycobacterium tuberculosis*/metabolism , Cyclic AMP*/metabolism , Signal Transduction* , Drug Discovery* , Tuberculosis*/microbiology , Tuberculosis*/drug therapy , Antitubercular Agents*/pharmacology , Macrophages*/microbiology, Animals ; Humans ; Bacterial Proteins/metabolism ; Mice

المؤلفون: LaPlante SR; Pasteur Network, INRS-Centre Armand-Frappier Santé Biotechnologie, 531 Boulevard des Prairies, Laval, Québec, H7V 1B7, Canada; NMX Research and Solutions, Inc., 500 Boulevard Cartier Ouest, Laval, Québec, H7V 5B7, Canada; Université Paris Cité, CNRS, CiTCoM, F-75006, Paris, France. Electronic address: steven.laplante@inrs.ca., Coric P; Université Paris Cité, CNRS, CiTCoM, F-75006, Paris, France., Bouaziz S; Université Paris Cité, CNRS, CiTCoM, F-75006, Paris, France., França TCC; Pasteur Network, INRS-Centre Armand-Frappier Santé Biotechnologie, 531 Boulevard des Prairies, Laval, Québec, H7V 1B7, Canada.

المصدر: Microbes and infection [Microbes Infect] 2024 Sep-Oct; Vol. 26 (7), pp. 105297. Date of Electronic Publication: 2024 Jan 09.

نوع المنشور: Journal Article; Review

بيانات الدورية: Publisher: Elsevier Country of Publication: France NLM ID: 100883508 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1769-714X (Electronic) Linking ISSN: 12864579 NLM ISO Abbreviation: Microbes Infect Subsets: MEDLINE

مواضيع طبية MeSH: Antiviral Agents*/chemistry , Antiviral Agents*/pharmacology , Drug Discovery*/methods , Magnetic Resonance Spectroscopy*/methods , SARS-CoV-2*/drug effects, Humans ; Crystallography, X-Ray ; Hepacivirus/drug effects

المؤلفون: Chen ZK; Department of Pharmacology, School of Basic Medical Sciences; State Key Laboratory of Medical Neurobiology, Institutes of Brain Science and Collaborative Innovation Center for Brain Science; Joint International Research Laboratory of Sleep; and Department of Anesthesiology, Zhongshan Hospital, Fudan University, Shanghai, 200032, China.; Department of Pharmacology, University of North Carolina at Chapel Hill, Chapel Hill, NC, 27599, USA., Liu YY; Department of Pharmacology, School of Basic Medical Sciences; State Key Laboratory of Medical Neurobiology, Institutes of Brain Science and Collaborative Innovation Center for Brain Science; Joint International Research Laboratory of Sleep; and Department of Anesthesiology, Zhongshan Hospital, Fudan University, Shanghai, 200032, China., Zhou JC; Department of Pharmacology, School of Basic Medical Sciences; State Key Laboratory of Medical Neurobiology, Institutes of Brain Science and Collaborative Innovation Center for Brain Science; Joint International Research Laboratory of Sleep; and Department of Anesthesiology, Zhongshan Hospital, Fudan University, Shanghai, 200032, China., Chen GH; Department of Neurology (Sleep Disorders), the Affiliated Chaohu Hospital of Anhui Medical University, Hefei, 238000, China., Liu CF; Department of Neurology and Clinical Research Center of Neurological Disease, The Second Affiliated Hospital of Soochow University, Suzhou, 215004, China. liuchunfeng@suda.edu.cn., Qu WM; Department of Pharmacology, School of Basic Medical Sciences; State Key Laboratory of Medical Neurobiology, Institutes of Brain Science and Collaborative Innovation Center for Brain Science; Joint International Research Laboratory of Sleep; and Department of Anesthesiology, Zhongshan Hospital, Fudan University, Shanghai, 200032, China. quweimin@fudan.edu.cn., Huang ZL; Department of Pharmacology, School of Basic Medical Sciences; State Key Laboratory of Medical Neurobiology, Institutes of Brain Science and Collaborative Innovation Center for Brain Science; Joint International Research Laboratory of Sleep; and Department of Anesthesiology, Zhongshan Hospital, Fudan University, Shanghai, 200032, China. huangzl@fudan.edu.cn.

المصدر: Acta pharmacologica Sinica [Acta Pharmacol Sin] 2024 Sep; Vol. 45 (9), pp. 1777-1792. Date of Electronic Publication: 2024 Apr 26.

نوع المنشور: Journal Article; Review

بيانات الدورية: Publisher: Nature Publishing Group Country of Publication: United States NLM ID: 100956087 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1745-7254 (Electronic) Linking ISSN: 16714083 NLM ISO Abbreviation: Acta Pharmacol Sin Subsets: MEDLINE

مواضيع طبية MeSH: Sleep Initiation and Maintenance Disorders*/drug therapy , Disease Models, Animal* , Drug Discovery*, Animals ; Humans ; Hypnotics and Sedatives/therapeutic use ; Hypnotics and Sedatives/pharmacology ; Rodentia

المؤلفون: Kageler L; Stem Cell Program and Division of Hematology/Oncology, Boston Children's Hospital, Boston, MA, U.S.A., Aquilanti E; Division of Neuro Oncology, Dana Farber Cancer Institute, Boston, MA, U.S.A.; Department of Medical Oncology, Dana Farber Cancer Institute, Boston, MA, U.S.A.; Cancer Program, Broad Institute of MIT and Harvard, Cambridge, MA, U.S.A.

المصدر: Biochemical Society transactions [Biochem Soc Trans] 2024 Aug 28; Vol. 52 (4), pp. 1957-1968.

نوع المنشور: Journal Article; Review

بيانات الدورية: Publisher: Portland Press On The Behalf Of The Biochemical Society Country of Publication: England NLM ID: 7506897 Publication Model: Print Cited Medium: Internet ISSN: 1470-8752 (Electronic) Linking ISSN: 03005127 NLM ISO Abbreviation: Biochem Soc Trans Subsets: MEDLINE

مواضيع طبية MeSH: Telomerase*/antagonists & inhibitors , Telomerase*/metabolism , Enzyme Inhibitors*/chemistry , Enzyme Inhibitors*/pharmacology , Enzyme Inhibitors*/therapeutic use , Drug Discovery*/methods, Humans ; Cryoelectron Microscopy ; Neoplasms/drug therapy ; Drug Design ; Telomere/metabolism ; Oligonucleotides/chemistry ; Antineoplastic Agents/chemistry ; Antineoplastic Agents/pharmacology ; Antineoplastic Agents/therapeutic use

المؤلفون: Xie S; Innovation Center for Neurological Disorders and Department of Neurology, Xuanwu Hospital, Capital Medical University, National Clinical Research Center for Geriatric Diseases, Beijing 100053, P. R. China., Liang Y; Innovation Center for Neurological Disorders and Department of Neurology, Xuanwu Hospital, Capital Medical University, National Clinical Research Center for Geriatric Diseases, Beijing 100053, P. R. China., Song Y; Innovation Center for Neurological Disorders and Department of Neurology, Xuanwu Hospital, Capital Medical University, National Clinical Research Center for Geriatric Diseases, Beijing 100053, P. R. China., Li T; Innovation Center for Neurological Disorders and Department of Neurology, Xuanwu Hospital, Capital Medical University, National Clinical Research Center for Geriatric Diseases, Beijing 100053, P. R. China., Jia J; Innovation Center for Neurological Disorders and Department of Neurology, Xuanwu Hospital, Capital Medical University, National Clinical Research Center for Geriatric Diseases, Beijing 100053, P. R. China.; Beijing Key Laboratory of Geriatric Cognitive Disorders, Beijing 100053, P. R. China.; Clinical Center for Neurodegenerative Disease and Memory Impairment, Capital Medical University, Beijing 100053, P. R. China.; Center of Alzheimer's Disease, Beijing Institute of Brain Disorders, Collaborative Innovation Center for Brain Disorders, Capital Medical University, Beijing 100053, P. R. China.; Key Laboratory of Neurodegenerative Diseases, Ministry of Education, Beijing 100053, P. R. China.

المصدر: ACS chemical neuroscience [ACS Chem Neurosci] 2024 Aug 21; Vol. 15 (16), pp. 2995-3008. Date of Electronic Publication: 2024 Aug 03.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101525337 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1948-7193 (Electronic) Linking ISSN: 19487193 NLM ISO Abbreviation: ACS Chem Neurosci Subsets: MEDLINE

مواضيع طبية MeSH: Alzheimer Disease*/drug therapy , Alzheimer Disease*/metabolism , Drug Repositioning*/methods , Amyloid beta-Peptides*/metabolism , Drug Discovery*/methods , Anidulafungin*/pharmacology, Humans ; Animals ; Echinocandins/pharmacology ; Echinocandins/chemistry ; Molecular Docking Simulation/methods ; Peptide Fragments/pharmacology ; Peptide Fragments/metabolism