Comparison of human FTO and mutant R322Q with various ligands for poly malformation syndrome treatment

The purpose of this research is to use the Autodock Vina method for molecular docking in order to identify the ligand that is most effective in establishing structural stability of mutant proteins that are connected with obesity and fat mass (FTO). Instruments and Methods for Research: Through the work that we have done, we have been able to effectively rebuild the RCSB PDB, UniProt structure of the FTO protein, which is associated with fat mass and obesity. With the use of the SNP database, we were able to build a list of missense mutations that were anticipated to have a negative effect on the FTO protein. The next step was to produce the mutations by utilising the SPDBV server. Following the retrieval of the three-dimensional structure of the novel ligand from PubChem, we utilised the autodock vina approach in order to conduct out molecular docking in Pyrx. According to the findings, the FTO structure was destabilised by the replacements 316Q, S319F, and R322Q, which was consistent with the predictions made by all of the methodologies that were utilised in the research. In conclusion, the online tools provided by PyRx assisted us in locating the most effective ligand that interacts with the active areas of the protein as well as the mutations that have a negative influence on the stability of FTO. This lays the path for further in vivo investigations and molecular dynamic simulations, both of which are necessary in order to identify a cure for poly malformation syndrome.