Structure-based Drug Repurposing Against COVID-19 and Emerging Infectious Diseases: Methods, Resources and Discoveries

Overview

Journal Brief Bioinform

Publisher Oxford University Press

Specialty Biology

Date 2021 May 16

PMID 33993214

Citations 6

Authors

Yosef Masoudi-Sobhanzadeh

Aysan Salemi

Mohammad M Pourseif

Behzad Jafari

Yadollah Omidi

Ali Masoudi-Nejad

Affiliations

Soon will be listed here.

Abstract

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.

Citing Articles

DeepTraSynergy: drug combinations using multimodal deep learning with transformers.

Rafiei F, Zeraati H, Abbasi K, Ghasemi J, Parsaeian M, Masoudi-Nejad A Bioinformatics. 2023; 39(8).

PMID: 37467066 PMC: 10397534. DOI: 10.1093/bioinformatics/btad438.

A voting-based machine learning approach for classifying biological and clinical datasets.

Daneshvar N, Masoudi-Sobhanzadeh Y, Omidi Y BMC Bioinformatics. 2023; 24(1):140.

PMID: 37041456 PMC: 10088226. DOI: 10.1186/s12859-023-05274-4.

Repurposing ketamine to treat cocaine use disorder: integration of artificial intelligence-based prediction, expert evaluation, clinical corroboration and mechanism of action analyses.

Gao Z, Winhusen T, Gorenflo M, Ghitza U, Davis P, Kaelber D Addiction. 2023; 118(7):1307-1319.

PMID: 36792381 PMC: 10631254. DOI: 10.1111/add.16168.

A fuzzy logic-based computational method for the repurposing of drugs against COVID-19.

Masoudi-Sobhanzadeh Y, Esmaeili H, Masoudi-Nejad A Bioimpacts. 2022; 12(4):315-324.

PMID: 35975205 PMC: 9376160. DOI: 10.34172/bi.2021.40.

Drug Repurposing for the Identification of Compounds with Anti-SARS-CoV-2 Capability via Multiple Targets.

Yu P, Huang C, Kuo C, Liang P, Wang L, Pan M Pharmaceutics. 2022; 14(1).

PMID: 35057070 PMC: 8779140. DOI: 10.3390/pharmaceutics14010176.

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