المؤلفون: Jingyu Zhu, Kan Li, Lei Xu, Yanfei Cai, Yun Chen, Xinling Zhao, Huazhong Li, Gang Huang, Jian Jin

المصدر: Journal of Advanced Research, Vol 36, Iss , Pp 1-13 (2022)

مصطلحات موضوعية: PI3Kγ, Selective inhibitor, Hematologic malignancies, Virtual screening, Molecular dynamics simulation, JN-KI3, Medicine (General), R5-920, Science (General), Q1-390

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2090123221000710; https://doaj.org/toc/2090-1232

URL الوصول: https://doaj.org/article/2f95266817e142be87b2273c59423d61

المؤلفون: Yanfei Cai, Jingyu Zhu, Yun Chen, Jian Jin, Xinling Zhao, Kan Li, Lei Xu, Huazhong Li, Gang Huang

المصدر: Journal of Advanced Research
Journal of Advanced Research, Vol 36, Iss, Pp 1-13 (2022)

مصطلحات موضوعية: SMILES, simplified molecular input line entry specification, 0301 basic medicine, Medicine (General), Science (General), CADD, computer-aided drug design, AUC, area under receiver operations characteristic curve, VS, virtual screening, Ionic, ionic interactions, computer.software_genre, PI3Kγ, Machine Learning, Q1-390, Phosphatidylinositol 3-Kinases, 0302 clinical medicine, Protein structure, Basic and Biological Science, PI3K, Phosphoinositide 3-kinase, RTK, receptor tyrosine kinases, IMDM, Iscove’s Modified Dulbecco’s Medium, PDB, protein data bank, Cytotoxicity, PARP, poly ADP-ribose polymerase, XP, extra precision, Phosphoinositide-3 Kinase Inhibitors, Selective inhibitor, chemistry.chemical_classification, Multidisciplinary, Chemistry, JN-KI3, GPCR, G protein-coupled receptors, MD, molecular dynamics, Molecular Docking Simulation, PAINS, pan-assay interference compounds, NBC, naive Bayesian classifier, RMSD, root-mean-squared-deviation, RMSF, root-mean-squared-fluctuation, MM/GBSA, molecular mechanics/generalized born surface area, 030220 oncology & carcinogenesis, CDRA, confirmatory dose–response assays, SP, standard precision, DMEM, Dulbecco’s Modified Eagle Medium, Virtual screening, Gene isoform, H-bond, hydrogen bond, DS3.5, discovery studio 3.5, Molecular Dynamics Simulation, Machine learning, AKT, protein kinase B, 03 medical and health sciences, R5-920, FBS, fetal bovine serum, ROC, receiver operations characteristic, REOS, rapid elimination of swill, Badapple, bioactivity data associative promiscuity pattern learning engine, PAGE, polyacrylamide gel electrophoresis, PI3K/AKT/mTOR pathway, ComputingMethodologies_COMPUTERGRAPHICS, Water Bridge, hydrogen bonds through water molecular bridge, business.industry, Mechanism (biology), PSA, primary screening assays, 030104 developmental biology, Enzyme, Cell culture, Hematologic malignancies, Artificial intelligence, SD, standard deviation, business, ADMET, absorption, distribution, metabolism, excretion, and toxicity, computer

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2cdbf7fb8f578b72a0c3242e69513c71
https://doi.org/10.1016/j.jare.2021.04.007

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المؤلفون: Zhu J; School of Pharmaceutical Sciences, Jiangnan University, Wuxi, Jiangsu 214122, China., Li K; School of Pharmaceutical Sciences, Jiangnan University, Wuxi, Jiangsu 214122, China., Xu L; Institute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering, Jiangsu University of Technology, Changzhou 213001, China., Cai Y; School of Pharmaceutical Sciences, Jiangnan University, Wuxi, Jiangsu 214122, China., Chen Y; School of Pharmaceutical Sciences, Jiangnan University, Wuxi, Jiangsu 214122, China., Zhao X; School of Pharmaceutical Sciences, Jiangnan University, Wuxi, Jiangsu 214122, China., Li H; School of Biotechnology, Jiangnan University, Wuxi, Jiangsu 21412 2, China., Huang G; Shanghai Key Laboratory of Molecular Imaging, Shanghai University of Medicine and Health Sciences, Shanghai 201318, China., Jin J; School of Pharmaceutical Sciences, Jiangnan University, Wuxi, Jiangsu 214122, China.

المصدر: Journal of advanced research [J Adv Res] 2021 Apr 20; Vol. 36, pp. 1-13. Date of Electronic Publication: 2021 Apr 20 (Print Publication: 2022).

نوع المنشور: Journal Article; Research Support, Non-U.S. Gov't

بيانات الدورية: Publisher: Cairo University, production and hosting by Elsevier B. V Country of Publication: Egypt NLM ID: 101546952 Publication Model: eCollection Cited Medium: Internet ISSN: 2090-1224 (Electronic) Linking ISSN: 20901224 NLM ISO Abbreviation: J Adv Res Subsets: MEDLINE

مواضيع طبية MeSH: Molecular Dynamics Simulation* , Phosphatidylinositol 3-Kinases*/metabolism, Machine Learning ; Molecular Docking Simulation ; Phosphoinositide-3 Kinase Inhibitors