Molecules, Vol. 29, Pages 1904: Molecular Dynamics Simulation of Kir6.2 Variants Reveals Potential Association with Diabetes Mellitus

In this study, we examined the effect of mutations on the Kir6.2 structure using bioinformatics tools and molecular dynamic simulations (SIFT, PolyPhen, SNAP2, PANTHER, PhD&SNP, SNP&Go, I-Mutant, MuPro, MutPred, ConSurf, HOPE, and GROMACS). Our results indicated that M199R, R201H, R206H, and Y330H mutations influence Kir6.2 structure and function and therefore may cause DM. We conclude that MD simulations are useful techniques to predict the effects of mutations on protein structure. In addition, the M199R, R201H, R206H, and Y330H variant in the Kir6.2 protein may be associated with DM. These results require further verification in protein–protein interactions, Kir6.2 function, and case-control studies.

Source: Molecules - April 22, 2024 Category: Chemistry Authors: Mohamed E. Elangeeb Imadeldin Elfaki Ali M. S. Eleragi Elsadig Mohamed Ahmed Rashid Mir Salem M. Alzahrani Ruqaiah I. Bedaiwi Zeyad M. Alharbi Mohammad Muzaffar Mir Mohammad Rehan Ajmal Faris Jamal Tayeb Jameel Barnawi Tags: Article Source Type: research