Current Research in Medicine

Analysis of Resistance to Human Immunodeficiency Virus Protease Inhibitors Using Molecular Mechanics and Machine Learning Strategies

A. Harishchander, D. A. Anand and Sanjib Senapati

DOI : 10.3844/amjsp.2010.126.132

Current Research in Medicine

Volume 1, Issue 2

Pages 126-132


Problem statement: Drug resistance is the most important factor, which influences the failure of current HIV therapies. So, the ability to predict the drug resistance of HIV-1 protease mutants will be useful in developing more effective and longer lasting treatment regimens. Approach: Drug resistance of HIV-1 protease is predicted with two current protease inhibitors (Indinavir and Saquinavir). The problem was approached from two perspectives. First, structural features of the HIV protease with inhibitor complex were constructed. Next, a classifier was constructed based on the patterns of various drug resistant mutants. In first stage SPDB viewer (for making mutations) and INSIGHT II (for analyzing binding energies and hydrogen bond contact with the inhibitor and the binding site) software


© 2010 A. Harishchander, D. A. Anand and Sanjib Senapati. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.