QSAR STUDIES ON NOVEL 1, 4-DIHYDROPYRIDINE DERIVATIVESAbstract
QSAR studies on N3, N5-diphenyl-1, 4-dihydropyridine-3, 5-dicarbohydrazides [2A-2D’] and 2, 6-dimethyl-1,4-dihydro-pyridine-3, 5-yl-bis[carbonyl-2-(phenyl)]pyrazolidine-3, 5-diones] [3A -3D’] were carried out. 3D chemical structures were given as input and desired molecular attributes and molecular indices were selected. Various molecular descriptors were studied using TSAR (Tools for Structure Activity Relationship) Accelrys Discovery studio software. All the properties were calculated based on the chemical structure. Hansch equations were developed for all the above mentioned compounds against respective microorganisms and for anti-inflammatory activities, using some of the calculated descriptors. A correlation matrix was developed, which gives the inter correlation between the calculated descriptors.
Asma Samaunnisa A.*, C.H.S. Venkataramana and V. Madhavan
Department of Pharmaceutical Chemistry, M.S. Ramaiah College of Pharmacy, Bangalore, India
30 March, 2013
14 May, 2013
26 July, 2013
01 August, 2013