Virtual screening, molecular dynamics and structure-activity relationship studies to identify potent approved drugs for Covid-19 treatment.

MM, Rahman; T, Saha; KJ, Islam; RH, Suman; S, Biswas; EU, Rahat; MR, Hossen; R, Islam; MN, Hossain; AA, Mamun; M, Khan; MA, Ali; MA, Halim

doi:10.1080/07391102.2020.1794974

Public

Virtual screening, molecular dynamics and structure-activity relationship studies to identify potent approved drugs for Covid-19 treatment.

Shared by NobleBlocks on Jul 21, 2020 • 12:00 AM UTC

Authors:

Rahman MM

Saha T

Islam KJ

Abstract

Computer-aided drug screening by molecular docking, molecular dynamics (MD) and structural-activity relationship (SAR) can offer an efficient approach to identify promising drug repurposing candidates for COVID-19 treatment. In this study, computational screening is performed by molecular docking of...

Subject

Principal component analysis

Molecular docking

Molecular dynamics

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