Title:QSAR and Molecular Docking Studies on a Series of Cinnamic Acid Analogues as Epidermal Growth Factor Receptor (EGFR) Inhibitors
Volume: 14
Issue: 1
Author(s): Basheerulla Shaik, Omar Deeb, Vijay K. Agrawal and Satya P. Gupta
Affiliation:
Keywords:
Cinnamic acid analogues, epidermal growth factor receptor (EGFR) inhibitors, tyrosine kinase, quantitative structure-
activity relationship study, docking study.
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.
