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Applications of Structure Based Drug Design Approaches towards Design and Development of Calcium Channel Blockers
* 1 , 2
1  KIET School of Pharmacy, KIET Group of Institutions, Ghaziabad, UP, India
2  Department of Pharmacy, Lala Lajpat Rai Memorial Medical College, Meerut, UP, India


Structure-Based Drug Discovery approaches facilitate the efforts towards drug discovery and in this communication these are applied towards development of Calcium Channel Blockers (CCBs). Quantitative structure-activity relationship (QSAR) studies were carried out on a series of 1,3-dioxoisoindoline-5-carboxamide derivatives and the contributing descriptors were identified as hydrophobicity, electronic constant (σR1) and some indicator parameter (I). The data set designed based on QSAR conclusions was screened against Voltage gated CCB receptor and the binding profile was predicted.

Keywords: Calcium Channel Blockers, QSAR, Voltage gated CCB receptor, Molecular docking