QSAR Analysis of Some TIBO Derivatives As HIV-1 Reverse Transcriptase Inhibitors

Abstract

We performed studies to correlate the biological activity of the TIBO (4,5,6,7-tetrahydro-5-methylimidazo[4,5,1-j,k][1,4] benzodiazepin-2(1H)-one)14 sets of compound with the independent variable (descriptor) to know the structural requirement of the drug receptor binding interaction. Multiple linear regression methods have been applied to linearly correlate dependent (bioactivities) and independent variables. Multiple linear regression (MLR) has been widely used when the number of samples (rows) exceed the amount of descriptors (columns). The result obtained from the regression analysis is good and statistical values of correlation coefficient r= .9264 and standard error of estimation (Se) = .2640 and Fisher ratio (F) = 33.313 proves that the obtained mathematical model from the 14 sets of TIBO compound is best. The role of indicator parameter (ICl i.e. presence of Cl atom at carbon of six membered ring) is important to reduce the required concentration of the drug and so as index of refraction (η) also plays vital role in this concern.