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

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

Volume: 12 Issue: 6

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

Affiliation:

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

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.

Cite this article as:

Jubie Selvaraj, Kumar Yadhav Pawan, Joghee Nanjan Chandrasekar Moola, Gomathi Priya Jeyapal, MVNL Chaitanya and Dhanabal Palanisamy, Novel Fatty Acid Analogues as Human Fatty Acid Synthase Thioesterase Domain Inhibitors: Synthesis and their Cytotoxicity Screening, Letters in Drug Design & Discovery 2015; 12 (6) . https://dx.doi.org/10.2174/1570180812666141216210751