skip to main content
Ngôn ngữ:
Giới hạn tìm kiếm: Giới hạn tìm kiếm: Dạng tài nguyên Hiển thị kết quả với: Hiển thị kết quả với: Dạng tìm kiếm Chỉ mục

Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods

Acta pharmaceutica Sinica. B, 2020-05, Vol.10 (5), p.766-788 [Tạp chí có phản biện]

2020 Chinese Pharmaceutical Association and Institute of Materia Medica, Chinese Academy of Medical Sciences ;2020 Chinese Pharmaceutical Association and Institute of Materia Medica, Chinese Academy of Medical Sciences. Production and hosting by Elsevier B.V. ;2020 Chinese Pharmaceutical Association and Institute of Materia Medica, Chinese Academy of Medical Sciences. Production and hosting by Elsevier B.V. 2020 Chinese Pharmaceutical Association and Institute of Materia Medica, Chinese Academy of Medical Sciences ;ISSN: 2211-3835 ;EISSN: 2211-3843 ;DOI: 10.1016/j.apsb.2020.02.008 ;PMID: 32292689

Tài liệu số/Tài liệu điện tử

Trích dẫn Trích dẫn bởi
  • Nhan đề:
    Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods
  • Tác giả: Wu, Canrong ; Liu, Yang ; Yang, Yueying ; Zhang, Peng ; Zhong, Wu ; Wang, Yali ; Wang, Qiqi ; Xu, Yang ; Li, Mingxue ; Li, Xingzhou ; Zheng, Mengzhu ; Chen, Lixia ; Li, Hua
  • Chủ đề: Drug repurposing ; Homology modeling ; Molecular docking ; Original article ; Remdesivir ; SARS-CoV-2
  • Là 1 phần của: Acta pharmaceutica Sinica. B, 2020-05, Vol.10 (5), p.766-788
  • Mô tả: SARS-CoV-2 has caused tens of thousands of infections and more than one thousand deaths. There are currently no registered therapies for treating coronavirus infections. Because of time consuming process of new drug development, drug repositioning may be the only solution to the epidemic of sudden infectious diseases. We systematically analyzed all the proteins encoded by SARS-CoV-2 genes, compared them with proteins from other coronaviruses, predicted their structures, and built 19 structures that could be done by homology modeling. By performing target-based virtual ligand screening, a total of 21 targets (including two human targets) were screened against compound libraries including ZINC drug database and our own database of natural products. Structure and screening results of important targets such as 3-chymotrypsin-like protease (3CLpro), Spike, RNA-dependent RNA polymerase (RdRp), and papain like protease (PLpro) were discussed in detail. In addition, a database of 78 commonly used anti-viral drugs including those currently on the market and undergoing clinical trials for SARS-CoV-2 was constructed. Possible targets of these compounds and potential drugs acting on a certain target were predicted. This study will provide new lead compounds and targets for further in vitro and in vivo studies of SARS-CoV-2, new insights for those drugs currently ongoing clinical studies, and also possible new strategies for drug repositioning to treat SARS-CoV-2 infections. Twenty structures including 19 SARS-CoV-2 targets and one human target were built by homology modeling. Library of ZINC drug database, natural products, 78 anti-viral drugs were screened against these targets plus human ACE2. This study provides drug repositioning candidates and targets for further in vitro and in vivo studies of SARS-CoV-2. [Display omitted]
  • Nơi xuất bản: Netherlands: Elsevier B.V
  • Ngôn ngữ: English
  • Số nhận dạng: ISSN: 2211-3835
    EISSN: 2211-3843
    DOI: 10.1016/j.apsb.2020.02.008
    PMID: 32292689
  • Nguồn: PubMed Central (Open access)
    DOAJ Directory of Open Access Journals
    Geneva Foundation Free Medical Journals at publisher websites
Trở lại danh sách kết quả
INSPIRE LIBRARY - TON DUC THANG UNIVERSITY (84-028) 37 755 057 Feedback
19 Nguyen Huu Tho St. Dist.7, HCM thuvien@tdtu.edu.vn

Copyright © 2017 INSPIRE LIBRARY - TON DUC THANG UNIVERSITY

Đang tìm Cơ sở dữ liệu bên ngoài...