Identification of novel TMPRSS2 inhibitors for COVID-19 using e-pharmacophore modelling, molecular docking, molecular dynamics and quantum mechanics studies

SARS coronavirus 2 (SARS-CoV-2) has spread rapidly around the world and continues to have a massive global health effect, contributing to an infectious respiratory illness called coronavirus infection-19 (COVID-19). TMPRSS2 is an emerging molecular target that plays a role in the early stages of SAR...

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Bibliographic Details
Main Authors: Abdulrahim A. Alzain, PhD, Fatima A. Elbadwi
Format: Article
Language:English
Published: Elsevier 2021-01-01
Series:Informatics in Medicine Unlocked
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2352914821002331