Computational design of medicinal compounds to inhibit RBD-hACE2 interaction in the Omicron variant: unveiling a vulnerable target site

Computational design of medicinal compounds to inhibit RBD-hACE2 interaction in the Omicron variant: unveiling a vulnerable target site

The COVID-19 pandemic, caused by SARS-CoV-2, has globally affected both human health and economy. Several variants with a high potential for reinfection and the ability to evade immunity were detected shortly after the initial reported case of COVID-19. A total of 30 mutations in the spike protein (...

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Bibliographic Details
Main Authors: Muhammad Shahab, Shahina Akter, Md Murshed Hasan Sarkar, Tanjina Akhtar Banu, Barna Goswami, Sanjana Fatema Chowdhury, Showti Raheel Naser, Md Ahashan Habib, Aftab Ali Shaikh, Morteza Saki, Guojun Zheng, Md Salim Khan
Format: Article
Language:English
Published: Elsevier 2023-01-01
Series:Informatics in Medicine Unlocked
Subjects:
SARS-CoV-2
hACE2
BA.2
Virtual screening
MD simulation
RBD
Online Access:http://www.sciencedirect.com/science/article/pii/S2352914823001259

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http://www.sciencedirect.com/science/article/pii/S2352914823001259

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