Structure and selectivity of binding sites in hiv protein by 6-aminoquinolines molecules: docking and molecular mechanics studies

Due to drug binding, deformation of HIV-RT enzyme in several regions at the active sites may take place. The drug resistance is the major problem in anti-AIDS drug therapy and development of new potent drugs has been one of the major challenges for researchers to tackle this problem. So, it is important to understand the features of inhibitor binding within HIV protein which is very important for designing more effective drugs. So the binding features of several 6-aminoquinolines are carried to understand the nature of hydrogen bonds and amino acid selectivity. There is significant variation of binding features of these molecules.