Molecular Dynamic Simulation of Neurexin1α Mutations Associated with Mental Disorder.

ABSTRACT: Neurexin1 gene is essential for formulating synaptic cell adhesion to establish synapses. In a previous work, 38 SNPs in Neurexin1 recoded in mental disorder patients have been collected. Five computational prediction tools have been used to predict the effect of SNPs on protein function and stability. Only four SNPs in Neurexin1α have deleterious prediction results from at least four tools. The current work aims to use molecular dynamic simulation (MD) to study the effects of the four mutations on Neurexin1α both on the whole protein as well as identifying affected domains by mutations. A protein model that consists of five domains out of six domains in the real protein was used; missing residues were added, and model was tested for quality. The MD experiment has last for 1.5 μs where fou

SUBMITTER: Hendam A 

PROVIDER: S-EPMC9532826 | biostudies-literature | 2022 Oct

REPOSITORIES: biostudies-literature