Structure-based drug repurposing against COVID-19 and emerging infectious diseases: methods, resources and discoveries

作     者：Masoudi-Sobhanzadeh, Yosef Salemi, Aysan Pourseif, Mohammad M. Jafari, Behzad Omidi, Yadollah Masoudi-Nejad, Ali 

作者机构：Nova Southeastern Univ Coll Pharm Ft Lauderdale FL 33314 USA Tabriz Univ Med Sci TUOMS Res Ctr Pharmaceut Nanotechnol RCPN Tabriz Iran TUOMS RCPN Tabriz Iran Urmia Univ Med Sci Sch Pharm Med Chem Dept Orumiyeh Iran 

出 版 物：《BRIEFINGS IN BIOINFORMATICS》 (生物信息学简报)

年 卷 期：2021年第22卷第6期

页      面：bbab113-bbab113页

核心收录：

学科分类：0710[理学-生物学] 07[理学] 09[农学] 

主　　题：COVID-19 drug repurposing emerging diseases SARS-CoV-2 structure-based methods 

摘      要：To attain promising pharmacotherapies, researchers have applied drug repurposing (DR) techniques to discover the candidate medicines to combat the coronavirus disease 2019 (COVID-19) outbreak. Although many DR approaches have been introduced for treating different diseases, only structure-based DR (SBDR) methods can be employed as the first therapeutic option against the COVID-19 pandemic because they rely on the rudimentary information about the diseases such as the sequence of the severe acute respiratory syndrome coronavirus 2 genome. Hence, to try out new treatments for the disease, the first attempts have been made based on the SBDR methods which seem to be among the proper choices for discovering the potential medications against the emerging and re-emerging infectious diseases. Given the importance of SBDR approaches, in the present review, well-known SBDR methods are summarized, and their merits are investigated. Then, the databases and software applications, utilized for repurposing the drugs against COVID-19, are introduced. Besides, the identified drugs are categorized based on their targets. Finally, a comparison is made between the SBDR approaches and other DR methods, and some possible future directions are proposed.