首页> Computers in biology and medicine> Combined deep learning and molecular docking simulations approach identifies potentially effective FDA approved drugs for repurposing against SARS-CoV-2.

Combined deep learning and molecular docking simulations approach identifies potentially effective FDA approved drugs for repurposing against SARS-CoV-2.

导出 OA

翻译打印收藏纠错

第一作者： Muhammad U,Anwaar

第一单位： Department of Electrical and Computer Engineering, Technical University Munich, Arcisstraße 21, 80333, München, Germany.

作者： Muhammad U,Anwaar ^[1] ; Farjad,Adnan ^[2] ; Asma,Abro ^[3] ; Rayyan A,Khan ^[1] ; Asad U,Rehman ^[4] ; Muhammad,Osama ^[4] ; Christopher,Rainville ^[5] ; Suresh,Kumar ^[5] ; David E,Sterner ^[5] ; Saad,Javed ^[4] ; Syed B,Jamal ^[6] ; Ahmadullah,Baig ^[7] ; Muhammad R,Shabbir ^[4] ; Waseh,Ahsan ^[7] ; Tauseef R,Butt ^[5] ; Muhammad Z,Assir ^[8]

作者单位： Department of Electrical and Computer Engineering, Technical University Munich, Arcisstraße 21, 80333, München, Germany. ^[1] Paderborn University, Warburger Str. 100, 33098, Paderborn, Germany. ^[2] Department of Biotechnology, Faculty of Life Sciences and Informatics, Balochistan University of Information Technology, Engineering and Management Sciences, Quetta, 1800, Pakistan. ^[3] Department of Medicine, Allama Iqbal Medical College, University of Health Sciences, Lahore, 54550, Pakistan; Center for Undiagnosed, Rare and Emerging Diseases, Lahore, 54550, Pakistan. ^[4] Progenra Inc, 271A Great Valley Parkway, Malvern, PA, 19355, USA. ^[5] Department of Biological Sciences, National University of Medical Sciences, Rawalpindi, Pakistan. ^[6] Department of Medicine, Allama Iqbal Medical College, University of Health Sciences, Lahore, 54550, Pakistan. ^[7] Department of Medicine, Allama Iqbal Medical College, University of Health Sciences, Lahore, 54550, Pakistan; Center for Undiagnosed, Rare and Emerging Diseases, Lahore, 54550, Pakistan; Department of Molecular Biology, Shaheed Zulfiqar Ali Bhutto Medical University, Islamabad, 44000, Pakistan. Electronic address: dr.zamankhan@gmail.com. ^[8]

关键词 Binding affinity Docking Drug repurposing Machine learning SARS-CoV-2

医学主题词抗病毒药(Antiviral Agents);药物重新定位(Drug Repositioning);人类(Humans);药用制剂(Pharmaceutical Preparations)

DOI 10.1016/j.compbiomed.2021.105049

PMID 34823857

发布时间 2022-08-26

翻译满意度评价：

准确一般字义偏差语意偏离译文作用小提交