Unraveling the molecular basis of snake venom nerve growth factor: human TrkA recognition through molecular dynamics simulation and comparison with human nerve growth factor.

ABSTRACT:

Introduction

Neurodegenerative diseases pose significant challenges owing to the limited number of effective therapies. Nerve growth factor (NGF) plays a crucial role in neuronal survival and differentiation through tropomyosin receptor kinase A (TrkA). Although snake venom NGF (sNGF) has been studied for its ability to activate TrkA, the binding modes and associated dynamics remain unclear compared to those of human NGF (hNGF). Herein, we explored the possibilities of NGFs from Daboia russelii and Naja naja as potential therapeutic alternatives to hNGF by comparing the structural similarities and conserved binding residues.

Methods

The active sites were identified through a literature review, molecular docking was performed using HADDOCK, and molecular dynamic

SUBMITTER: Devi S 

PROVIDER: S-EPMC12592128 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature