Docking and Virtual Screening Studies of Tetraketone Derivatives as Tyrosine Kinase (EGFR) Inhibitors: A Rational Approach to Anti-Fungi Drug Design

Abstract

In this paper, an attempt was made to develop molecular docking studies on a series of tetraketone derivatives acting as protein tyrosine kinases (EGFR) inhibitors. Molecular docking analysis was carried out to better understand the interactions between EGFR target and inhibitors in this series. Hydrophobic and hydrogen bond interactions lead to identification of active binding sites of EGFR protein in the docked complex. The present study may lead to discovery of therapeutically potent agents against clinically very important dermatological disorders including hyperpigmentation as well as skin melanoma. Hence the model proposed in this work can be employed to design new derivatives of tetraketone with specific tyrosine kinase (EGFR) inhibitory activity.