Exploring phytochemicals as potential pharmacological inhibitors for NS1 protein of Kyasanur forest disease virus using virtual screening, molecular docking, and molecular simulation approach.

ABSTRACT:

Background

Kyasanur forest disease virus (KFDV) remains a significant public health challenge due to the limitations of existing vaccines, creating a critical need for effective antiviral treatments. KFDV is a tick-borne virus responsible for 400-500 new cases annually, with a mortality rate of 3-5%. The nonstructural protein 1 (NS1), which plays crucial roles in host cell interactions, immune evasion, and viral replication, represents a promising target for antiviral drug development.

Objective

This study aims to identify potential antiviral compounds that inhibit the activity of KFDV NS1 protein using a computational pharmacological drug design approach. The objectives include determining the 3D structure of the NS1 protein through homology modeling, conducting virtual scr

SUBMITTER: Achappa S 

PROVIDER: S-EPMC12515432 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature