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Letters in Drug Design & Discovery

Editor-in-Chief

ISSN (Print): 1570-1808
ISSN (Online): 1875-628X

Research Article

QSAR and Molecular Docking Studies on a Series of Cinnamic Acid Analogues as Epidermal Growth Factor Receptor (EGFR) Inhibitors

Author(s): Basheerulla Shaik, Omar Deeb, Vijay K. Agrawal and Satya P. Gupta

Volume 14, Issue 1, 2017

Page: [83 - 95] Pages: 13

DOI: 10.2174/1570180813999160721160833

Price: $65

Abstract

Quantitative structure-activity relationship (QSAR) and docking studies have been performed on a large series of cinnamic acid analogues studied by various authors as Epidermal Growth Factor Receptor (EGFR) inhibitors. A multiple linear regression (MLR) analysis has shown that electronic properties of these compounds are the governing factors of their activity and docking study has shown that compounds can form hydrogen bonds with the receptor and have effective steric interactions involving dispersion forces. Using the MLR model, some new compounds were proposed that have higher potency than the existing ones.

Keywords: Cinnamic acid analogues, epidermal growth factor receptor (EGFR) inhibitors, tyrosine kinase, quantitative structure- activity relationship study, docking study.

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