Novel fatty acid synthase (FAS) inhibitors: design, synthesis, biological evaluation, and molecular docking studies

Xiaokui Wang; Jian Lin; Yao Chen; Wu Zhong; Guoming Zhao; Hongying Liu; Site Li; Lili Wang; Song Li

doi:10.1016/j.bmc.2009.01.050

Novel fatty acid synthase (FAS) inhibitors: design, synthesis, biological evaluation, and molecular docking studies

Bioorg Med Chem. 2009 Mar 1;17(5):1898-904. doi: 10.1016/j.bmc.2009.01.050. Epub 2009 Jan 29.

Authors

Xiaokui Wang¹, Jian Lin, Yao Chen, Wu Zhong, Guoming Zhao, Hongying Liu, Site Li, Lili Wang, Song Li

Affiliation

¹ Beijing Institute of Pharmacology and Toxicology, Beijing, PR China. [email protected]

PMID: 19223187
DOI: 10.1016/j.bmc.2009.01.050

Abstract

Several novel series of C75 derivatives were synthesized and evaluated for their FAS inhibitory activities. The results showed compound 4-methylene-2-octyl-5-oxo-tetrahydro-thiophene-3-carboxylic acid (1c) had more effective FAS inhibitory (IC(50) was 2.56 microM and T.I. was 9.26) and potent anti-tumor activities on HL60 and Hela cells in vitro (IC(50) were 5.38 microM and 46.10 microM, respectively).

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Cell Line, Tumor
Computer Simulation
Drug Design
Enzyme Inhibitors / chemical synthesis*
Enzyme Inhibitors / chemistry
Enzyme Inhibitors / pharmacology*
Fatty Acid Synthases / antagonists & inhibitors*
Fatty Acid Synthases / metabolism
HeLa Cells
Humans
Inhibitory Concentration 50
Thermodynamics
Thiophenes / chemical synthesis*
Thiophenes / chemistry
Thiophenes / pharmacology*

Substances

4-methylene-2-octyl-5-oxo-tetrahydro-thiophene-3-carboxylic acid
Enzyme Inhibitors
Thiophenes
Fatty Acid Synthases