“…The major problem faced by antiretroviral drugs is emergence of drug resistant HIV strain and hence drug combination therapy, termed as highly active antiretroviral therapy (HAART), was introduced [6]. The adverse side effects and pill burden are associated with reverse transcriptase and protease Abbreviations: 3D-QSAR, three-dimensional quantitative structure-activity relationship; CoMFA, comparative molecular field analysis; CoMSIA, comparative molecular similarity index analysis; HIV-1, human immunodeficiency virus-1; PLS, partial least squares; LOO, leave-one-out; ONS, optimum number of components; rncv 2 , noncross validation coefficient; rcv 2 inhibitors [7,8]. HIV integrase enzyme is found to be potential target for antiretroviral therapy [9,10].…”