Letters in Drug Design & Discovery

G. Perry
University of Texas
San Antonio, TX
USA
Email: lddd@benthamscience.org

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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, Palanisamy Dhanabal.

Graphical Abstract:


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.

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Article Details

VOLUME: 12
ISSUE: 6
Year: 2015
Page: [495 - 499]
Pages: 5
DOI: 10.2174/1570180812666141216210751
Price: $58