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

المؤلفون: Virendra Nath, Vipin Kumar, A Rohini

المصدر: Biocatalysis and Agricultural Biotechnology

مصطلحات موضوعية: Virtual screening, Drug, media_common.quotation_subject, Drug repurposing, Bioengineering, SP, Standard Precision, Computational biology, Binding energy, Applied Microbiology and Biotechnology, Article, Docking, MMGBSA, Molecular mechanics generalized born surface area, SARS, Severe Acute Respiratory Syndrome, DOCK, medicine, Distribution (pharmacology), COVID, OPLS, Optimized Potentials for Liquid Simulations, media_common, ADME, XP, Extra precision, Chemistry, HTVS, High-throughput virtual screening, ADME, Absorption Distribution Metabolism Excretion, CoV, Corona Virus, ACE, Angiotensin-Converting Enzyme, Drug repositioning, Nelfinavir, Docking (molecular), PDB, Protein data bank, CDR, Computational Drug Repurposing, Agronomy and Crop Science, Food Science, Biotechnology, medicine.drug

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0d64012a07aa96e2be16fd8f2578e1ca
https://doi.org/10.1016/j.bcab.2021.102178

المؤلفون: Lingxia Zhu, Peng Cao, Yonghua Zhu, Jiao Chen, Rafael Rosell, Yuhan Yang, Chunping Hu, Xiaoyan Sun, Xueting Cai, Jiayu Zhao, Yang Yang, Jiaqi Wang

المصدر: Acta Pharmaceutica Sinica. B
Acta Pharmaceutica Sinica B, Vol 10, Iss 4, Pp 603-614 (2020)

مصطلحات موضوعية: BCL-2, B-cell lymphoma-2, BUN, blood urea nitrogen, PARP, poly(ADP-ribose) polymerase, PSCs, pancreatic stellate cells, HEK293, human embryonic kidney 293, Regulator, PAX, paclitaxel, AST, aspartate aminotransferase, OHP, oxaliplatin, 0302 clinical medicine, PAK1, Pancreatic tumor, Medicine, General Pharmacology, Toxicology and Pharmaceutics, HTVS, high-throughput virtual screening, ANOVA, analysis of variance, XP, extra precision, RAC1, Rac family small GTPase 1, 0303 health sciences, DMEM, Dulbecco's modified Eagle's medium, Kinase, SDS-PAGE, sodium dodecyl sulfate-polyacrylamide gel electrophoresis, IP, immunoprecipitation, Structure-based virtual screening, PUMA, P53 upregulated modulator of apoptosis, GTEx, genotype-tissue expression, 030220 oncology & carcinogenesis, Signal transduction, medicine.drug, SP, standard precision, Original article, IMEM, improved minimum essential medium, Inhibitor, DMSO, dimethylsulfoxide, PVDF, polyvinylidene fluoride, RIPA, radio immunoprecipitation assay, ERK, extracellular regulated protein kinase, TUNEL, terminal deoxynucleotidyl transferase dUTP nick end labeling, CDC42, cell division cycle 42, OS, overall survival, 03 medical and health sciences, CCK-8, cell counting kit-8, Pancreatic cancer, ALT, alanine aminotransferase, NSCLC, non-small cell lung cancer, PAK, P21-activated kinase, MEK, mitogen-activated protein kinase kinase, Survival rate, GEPIA, gene expression profiling interactive analysis, 030304 developmental biology, ALP, alkaline phosphatase, business.industry, lcsh:RM1-950, MEM, modified Eagle's medium, medicine.disease, Gemcitabine, lcsh:Therapeutics. Pharmacology, Cancer research, Synergistic effect, RPMI1640, Roswell Park Memorial Institute 1640 medium, Gem, gemcitabine, TCGA, The Cancer Genome Atlas, 5-FU, 5-fluorouracil, business

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0913dd0c804696dd82046e2f7cdf6b50
https://pubmed.ncbi.nlm.nih.gov/32322465

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المؤلفون: Nath V; Department of Pharmacy, School of Chemical Sciences and Pharmacy, Central University of Rajasthan, Ajmer, India., Rohini A; College of Pharmacy, JSS Academy of Technical Sciences, Noida, Uttar Pradesh, India., Kumar V; Department of Pharmacy, School of Chemical Sciences and Pharmacy, Central University of Rajasthan, Ajmer, India.

المصدر: Biocatalysis and agricultural biotechnology [Biocatal Agric Biotechnol] 2021 Oct; Vol. 37, pp. 102178. Date of Electronic Publication: 2021 Oct 01.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Elsevier Country of Publication: United States NLM ID: 101589270 Publication Model: Print-Electronic Cited Medium: Print ISSN: 1878-8181 (Print) Linking ISSN: 18788181 NLM ISO Abbreviation: Biocatal Agric Biotechnol Subsets: PubMed not MEDLINE

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

المؤلفون: Wang J; Affiliated Hospital of Integrated Traditional Chinese and Western Medicine, Nanjing University of Chinese Medicine, Nanjing 210028, China.; Department of Pharmacology, School of Pharmacy, Nanjing University of Chinese Medicine, Nanjing 210023, China.; Laboratory of Cellular and Molecular Biology, Jiangsu Province Academy of Traditional Chinese Medicine, Nanjing 210028, China., Zhu Y; Fullshare Health College, Nanjing University of Chinese Medicine, Nanjing 210023, China., Chen J; Affiliated Hospital of Integrated Traditional Chinese and Western Medicine, Nanjing University of Chinese Medicine, Nanjing 210028, China.; Department of Pharmacology, School of Pharmacy, Nanjing University of Chinese Medicine, Nanjing 210023, China.; Laboratory of Cellular and Molecular Biology, Jiangsu Province Academy of Traditional Chinese Medicine, Nanjing 210028, China., Yang Y; Department of General Surgery, Shanghai General Hospital, Shanghai Jiao Tong University School of Medicine, Shanghai 200080, China., Zhu L; Affiliated Hospital of Integrated Traditional Chinese and Western Medicine, Nanjing University of Chinese Medicine, Nanjing 210028, China.; Department of Pharmacology, School of Pharmacy, Nanjing University of Chinese Medicine, Nanjing 210023, China.; Laboratory of Cellular and Molecular Biology, Jiangsu Province Academy of Traditional Chinese Medicine, Nanjing 210028, China., Zhao J; Affiliated Hospital of Integrated Traditional Chinese and Western Medicine, Nanjing University of Chinese Medicine, Nanjing 210028, China.; Department of Pharmacology, School of Pharmacy, Nanjing University of Chinese Medicine, Nanjing 210023, China.; Laboratory of Cellular and Molecular Biology, Jiangsu Province Academy of Traditional Chinese Medicine, Nanjing 210028, China., Yang Y; Affiliated Hospital of Integrated Traditional Chinese and Western Medicine, Nanjing University of Chinese Medicine, Nanjing 210028, China.; Department of Pharmacology, School of Pharmacy, Nanjing University of Chinese Medicine, Nanjing 210023, China.; Laboratory of Cellular and Molecular Biology, Jiangsu Province Academy of Traditional Chinese Medicine, Nanjing 210028, China., Cai X; Affiliated Hospital of Integrated Traditional Chinese and Western Medicine, Nanjing University of Chinese Medicine, Nanjing 210028, China.; Department of Pharmacology, School of Pharmacy, Nanjing University of Chinese Medicine, Nanjing 210023, China.; Laboratory of Cellular and Molecular Biology, Jiangsu Province Academy of Traditional Chinese Medicine, Nanjing 210028, China., Hu C; Affiliated Hospital of Integrated Traditional Chinese and Western Medicine, Nanjing University of Chinese Medicine, Nanjing 210028, China.; Department of Pharmacology, School of Pharmacy, Nanjing University of Chinese Medicine, Nanjing 210023, China.; Laboratory of Cellular and Molecular Biology, Jiangsu Province Academy of Traditional Chinese Medicine, Nanjing 210028, China., Rosell R; Cancer Biology and Precision Medicine Program, Germans Trias i Pujol University Hospital, Badalona, Badalona 08916, Spain., Sun X; Affiliated Hospital of Integrated Traditional Chinese and Western Medicine, Nanjing University of Chinese Medicine, Nanjing 210028, China.; Department of Pharmacology, School of Pharmacy, Nanjing University of Chinese Medicine, Nanjing 210023, China.; Laboratory of Cellular and Molecular Biology, Jiangsu Province Academy of Traditional Chinese Medicine, Nanjing 210028, China., Cao P; Affiliated Hospital of Integrated Traditional Chinese and Western Medicine, Nanjing University of Chinese Medicine, Nanjing 210028, China.; Department of Pharmacology, School of Pharmacy, Nanjing University of Chinese Medicine, Nanjing 210023, China.; Laboratory of Cellular and Molecular Biology, Jiangsu Province Academy of Traditional Chinese Medicine, Nanjing 210028, China.; Jiangsu Key Lab of Cancer Biomarkers, Prevention and Treatment, Jiangsu Collaborative Innovation Center For Cancer Personalized Medicine, School of Public Health, Nanjing Medical University, Nanjing 211166, China.

المصدر: Acta pharmaceutica Sinica. B [Acta Pharm Sin B] 2020 Apr; Vol. 10 (4), pp. 603-614. Date of Electronic Publication: 2019 Dec 16.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Elsevier Country of Publication: Netherlands NLM ID: 101600560 Publication Model: Print-Electronic Cited Medium: Print ISSN: 2211-3835 (Print) Linking ISSN: 22113835 NLM ISO Abbreviation: Acta Pharm Sin B Subsets: PubMed not MEDLINE