In-silico drug design on homo sapiens FTO R316Q mutant with specific compounds for poly malformation syndrome.

This study utilizes molecular docking techniques to identify optimal ligands for stabilizing the FTO protein mutant using the Autodock Vina algorithm. The mutant R316Q 3D structure of human FTO was obtained from RCSB PDB and UniProt. Missense mutations with predicted the impact of FTO in deleterious structural effects were sourced from the SNP database and respective mutagenesis of these mutations was conducted by SPDBV server. Ligand structures were retrieved from PubChem, and molecular docking was performed using Pyrx with Autodock Vina. The R316Q mutant was found to exhibit significant effects associated with poly malformation syndrome. The study identified promising ligands that bind to the protein's active sites and deleterious mutations in FTO. Future directions include molecular simulations and in vivo studies to potentially develop a drug for poly malformation syndrome. [ABSTRACT FROM AUTHOR]