BBAuthors: Arthur, David Ebuka; Advisor: -; Participants: Akoji, Jibrin Noah; Sahnoun, Riadh; Okafor, Greatman C.; Abdullahi, Karimatu Lami; Abdullahi, Samira A.; Mgbemena, Charles (2021)
The result shows that PF-04691502 ligand best inhibited mTOR while occupying the Adenosine triphosphate (ATP)-binding site on the receptor. PF-04691502 had the best binding affinity with a reported value of − 39.261 kcal/mol, and a hydrogen bond energy contribution of − 8.326 kcal/mol. Polamid529 is also found to have a good binding affinity of − 36.75 kcal/mol with the receptor, but was less significant than that calculated for the reference or standard inhibitor (X6K) used (− 37.862 kcal/mol). Further analysis revealed that Palomid529 formed a more stable complex with the receptor than torin2 and X6K due to the significant hydrogen bond contributions it adds to its overall binding score. 
