In-silico ligand and structure based design of HIV-1 protease inhibitors: Current trends and future directions Ramasamy S.1, Gupta Sushmita2, Chaudhary Ritu Rani3, Verma Amit Kumar1,* 1Department of Pharmacy, MJP Rohilkhand University, Bareilly243006, Uttar Pradesh, India 2Department of Applied Chemistry, Faculty of Engineering and Technology, M. J. P. Rohilkhand University, Bareilly - 243006, Uttar Pradesh, India 3Department of Chemistry, B.S.A. Degree College, Mathura, Uttar Pradesh, India *Corresponding Author E-mail: professoramitmjpuniversity@gmail.com
Online Published on 08 June, 2022. Abstract A study of the function of the protease inhibitor as well as of highly active antiretroviral therapy is involved in the present work. The paper focused on the cause of drug resistance and related phenomena, the HIV protease structure and its catalytic mechanism, the production of HIV inhibitors based on CADD, as well as ligand-based drug design using QSAR and computational binding energy technique, other computational modelling, optimization based on CORAL software. In order to shed light on the potential growth of the new drug for the treatment of HIV, the debate on the prediction of the desired biological activity and the structural relationship studies and study related to the structure-based drug design and the most potent drugs was reviewed. Top Keywords In-silico Ligand, HIV-1 Protease Inhibitors, Highly Active Anti-Retroviral Therapy (HAART), Support Vector Machine (SVM). Top |