title: Synthesis, biological evaluation, and molecular docking studies of xanthone sulfonamides as ACAT inhibitors.
abstract: Three series of xanthone sulfonamides were synthesized, and their inhibitory activities against acyl-CoA: cholesterol acyltransferase (ACAT) were evaluated. Results showed that most of the title compounds exhibited strong inhibitory activity against ACAT, of which compounds 1c, 1e, 1f, 2d, 2e, and 3d were proved to be more active than the positive control Sandoz 58-035. Computational docking experiments indicated that the interaction between inhibitors and ACAT contained the H-bond interaction, the hydrophobic interaction, and the narrow hydrophobic cleft.
authors.affiliation: Department of Organic Chemistry, School of Pharmacy, Second Military Medical University, Shanghai, 200433, China.
authors.forename: Xiang
authors.initials: X
authors.lastname: Li
authors.forename: Yan
authors.initials: Y
authors.lastname: Zou
authors.forename: Qingjie
authors.initials: Q
authors.lastname: Zhao
authors.forename: Yan
authors.initials: Y
authors.lastname: Yang
authors.forename: Maocheng
authors.initials: M
authors.lastname: Wu
authors.forename: Ting
authors.initials: T
authors.lastname: Huang
authors.forename: Honggang
authors.initials: H
authors.lastname: Hu
authors.forename: Qiuye
authors.initials: Q
authors.lastname: Wu
mesh_terms: D000577:Amides / Q000737:chemistry / Q000378:metabolism; D001665:Binding Sites; D020134:Catalytic Domain; D004353:Drug Evaluation, Preclinical; D004791:Enzyme Inhibitors / Q000138:chemical synthesis / Q000737:chemistry / Q000378:metabolism*; D006860:Hydrogen Bonding; D062105:Molecular Docking Simulation; D017646:Organosilicon Compounds / Q000737:chemistry / Q000378:metabolism; D002785:Sterol O-Acyltransferase / Q000037:antagonists & inhibitors* / Q000378:metabolism; D013329:Structure-Activity Relationship; D013449:Sulfonamides / Q000138:chemical synthesis / Q000737:chemistry* / Q000378:metabolism; D044004:Xanthones / Q000737:chemistry*
chemical_list: D000577:Amides; D004791:Enzyme Inhibitors; D017646:Organosilicon Compounds; D013449:Sulfonamides; D044004:Xanthones; C040256:SAN 58035; C009689:xanthone; D002785:Sterol O-Acyltransferase
keywords: ACAT; Structure-activity relationship; docking; sulfonamide; xanthone