Proteochemometric modeling of HIV protease susceptibility

摘要: Background A major obstacle in treatment of HIV is the ability virus to mutate rapidly into drug-resistant variants. A method for predicting susceptibility mutated strains antiviral agents would provide substantial clinical benefit as well facilitate development new candidate drugs. Therefore, we used proteochemometrics model protease inhibitors current use, utilizing descriptions physico-chemical properties proteases and 3D structural property inhibitors. The were correlated data 828 unique variants seven use; set comprised 4792 protease-inhibitor combinations.