Generic placeholder image

Letters in Drug Design & Discovery

Editor-in-Chief

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

Novel Fatty Acid Analogues as Human Fatty Acid Synthase Thioesterase Domain Inhibitors: Synthesis and their Cytotoxicity Screening

Author(s): Selvaraj Jubie, Pawan Kumar Yadhav, Moola Joghee Nanjan Chandrasekar, Jeyapal Gomathi Priya, Chaitanya MVNL and Palanisamy Dhanabal

Volume 12, Issue 6, 2015

Page: [495 - 499] Pages: 5

DOI: 10.2174/1570180812666141216210751

Price: $65

Abstract

A new class of 1, 3, 4-oxadiazoles substituted stearic/palmitic acid analogues were prepared. In-silico docking studies have been done into the crystal structure of thioesterase domain of human fatty acid synthase (2PX6) that gave some important structural information on the ligand binding interactions. The residues His 2481, Tyr 2462 & Ala 2448 formed hydrogen bonds with 1, 3, 4–oxadiazole ring. All the target compounds exhibited good binding interactions with the active site residues. Cytotoxicity has been done for some selected compounds against human lung carcinoma cell lines (A-549) by SRB method. The compounds showed strong cytotoxicity.

Keywords: Fatty acids, GLIDE, heterocycles, cytotoxicity, molecular docking, 1, 3, 4-oxadiazole.

Graphical Abstract

Rights & Permissions Print Cite
© 2024 Bentham Science Publishers | Privacy Policy