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Cited by 2,330

The DOI matches its Crossref record; 53 of the 53 references it cites were found in a registry or an index.

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

Open access
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·2020·Acta Pharmaceutica Sinica B

Abstract

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.

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Metadata

Authors
Wu, C., Liu, Y., Yang, Y., Zhang, P., Zhong, W., Wang, Y., Wang, Q., Xu, Y., Li, M., Li, X., Zheng, M., Chen, L., & Li, H.
Venue
Acta Pharmaceutica Sinica B
Publisher
Elsevier BV
Published
2020-05
Volume
10
Issue
5
Pages
766-788
ISSN
2211-3835 (ISSN-L)
OpenAlex
W3008142620
Cited by
2,330
References
53
FWCI
247.27
Type
journal article
Language
en
Open access
gold

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CoChat. (2026). Citation check: Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods. https://app.cochat.ai/papers/10.1016/j.apsb.2020.02.008
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Wu, C., Liu, Y., Yang, Y., Zhang, P., Zhong, W., Wang, Y., Wang, Q., Xu, Y., Li, M., Li, X., Zheng, M., Chen, L., & Li, H. (2020). Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods. Acta Pharmaceutica Sinica B. https://doi.org/10.1016/j.apsb.2020.02.008

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