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 , Satya P. Gupta .

Journal Name: Letters in Drug Design & Discovery

Volume 14 , Issue 1 , 2017

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Graphical 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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Article Details

Year: 2017
Page: [83 - 95]
Pages: 13
DOI: 10.2174/1570180813999160721160833
Price: $58

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PDF: 16