Target specific inhibition of West Nile virus envelope glycoprotein and methyltransferase using phytocompounds: an in silico strategy leveraging molecular docking and dynamics simulation

Target specific inhibition of West Nile virus envelope glycoprotein and methyltransferase using phytocompounds: an in silico strategy leveraging molecular docking and dynamics simulation

Mosquitoes are the primary vector for West Nile virus, a flavivirus. The virus’s ability to infiltrate and establish itself in increasing numbers of nations has made it a persistent threat to public health worldwide. Despite the widespread occurrence of this potentially fatal disease, no effective t...

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Bibliographic Details
Main Authors: Shopnil Akash, Imren Bayıl, Md. Anisur Rahman, Nobendu Mukerjee, Swastika Maitra, Md. Rezaul Islam, Sanchaita Rajkhowa, Arabinda Ghosh, Sami A. Al-Hussain, Magdi E. A. Zaki, Vikash Jaiswal, Sanjit Sah, Joshuan J. Barboza, Ranjit Sah
Format: Article
Language:English
Published: Frontiers Media S.A. 2023-06-01
Series:Frontiers in Microbiology
Subjects:
West Nile virus
molecular docking
molecular dynamic simulation
PCA
drug-likeness
ADMET
Online Access:https://www.frontiersin.org/articles/10.3389/fmicb.2023.1189786/full

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