EventsMOL2NET'17, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 3rd ed.
Event submissions
Published
with-doi10.3390/mol2net-03-05051
This submission belongs to the session 03. USEDAT-03: USA-EU Data Analysis Training Prog. Work., Cambridge, UK-Bilbao, Spain-Duluth, USA, 2017 of the event MOL2NET'17, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 3rd ed.
Published date
01 Dec, 2017
Citation
Vaishali M Patil, Neeraj Masand, Applications of Structure Based Drug Design Approaches towards Design and Development of Calcium Channel Blockers, in Proceedings of MOL2NET'17, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 3rd ed., 15 January–15 December 2017, MDPI: Basel, Switzerland, doi: 10.3390/mol2net-03-05051
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Applications of Structure Based Drug Design Approaches towards Design and Development of Calcium Channel Blockers

Vaishali M Patil 1
Neeraj Masand 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
Abstract

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
Poster
mol2net-03-MOL2NET-2017-VMP.pdf
mol2net-03-MOL2NET-2017-VMP.pdf
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