QSAR STUDY OF ANTI-HIV DRUGS OF PYRIDOBENZODIAZEPIN-5 BY USING QUANTUM DESCRIPTORS.
S.S Tomar, Nadreen Banu*, and Kaleem Ahmad
ABSTRACT
The are various models now a days to predict the activities in terms of Log 1/c for 33 pyridobenzodiazepin-5 anti HIV compounds with the help of physiocochemical descriptor molar refractivity (M.R), molar volume (M.V), parachor (Pc), and Quantum chemical descriptor HOMO energy, LUMO energy, absolute hardness, softness, chemical potential and electronegtivity. The parameter adopted in this calculation is the semi- empirical PM3 based. The QSAR model sixth provides a good arrangement between obsd log1/C and predicted activity.
Keywords: Absolute hardness, Chemical potential, Electonegativity, Global softness, Molar refractivity (M.R), molar volume(M.V), HOMO, LUMO, Parachar (PC), and PM3.
[Download Article]
[Download Certifiate]