title: Novel fatty acid synthase (FAS) inhibitors: design, synthesis, biological evaluation, and molecular docking studies.
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).
authors.affiliation: Beijing Institute of Pharmacology and Toxicology, Beijing, PR China. wxkcaptain@yahoo.com.cn
authors.forename: Xiaokui
authors.initials: X
authors.lastname: Wang
authors.forename: Jian
authors.initials: J
authors.lastname: Lin
authors.forename: Yao
authors.initials: Y
authors.lastname: Chen
authors.forename: Wu
authors.initials: W
authors.lastname: Zhong
authors.forename: Guoming
authors.initials: G
authors.lastname: Zhao
authors.forename: Hongying
authors.initials: H
authors.lastname: Liu
authors.forename: Site
authors.initials: S
authors.lastname: Li
authors.forename: Lili
authors.initials: L
authors.lastname: Wang
authors.forename: Song
authors.initials: S
authors.lastname: Li
mesh_terms: D045744:Cell Line, Tumor; D003198:Computer Simulation; D015195:Drug Design; D004791:Enzyme Inhibitors / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D064429:Fatty Acid Synthases / Q000037:antagonists & inhibitors* / Q000378:metabolism; D006367:HeLa Cells; D006801:Humans; D020128:Inhibitory Concentration 50; D013816:Thermodynamics; D013876:Thiophenes / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*
chemical_list: C540739:4-methylene-2-octyl-5-oxo-tetrahydro-thiophene-3-carboxylic acid; D004791:Enzyme Inhibitors; D013876:Thiophenes; D064429:Fatty Acid Synthases