title: Structure-based 3-D-QSAR analysis of marine indole alkaloids.
abstract: A 3-D-QSAR study has been performed on these indole alkaloid derivatives to correlate their chemical structures with their observed antitumor activity against IGROV1. Due to the absence of information on their active mechanism, comparative molecular field analysis (CoMFA) has been applied. A model able to well correlate the antitumor activity with the chemical structures of mono and bis(indole) alkaloids 1-18 has been developed which is potentially helpful in the design of novel and more potent antitumor agents.
authors.affiliation: Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, 354 Fenglin Road, Shanghai 200 032, China. jiangb@pub.sioc.ac.cn
authors.forename: Biao
authors.initials: B
authors.lastname: Jiang
authors.forename: Wen-Nan
authors.initials: WN
authors.lastname: Xiong
authors.forename: Cai-Guang
authors.initials: CG
authors.lastname: Yang
authors.forename: Hua-Liang
authors.initials: HL
authors.lastname: Jiang
authors.forename: Feng
authors.initials: F
authors.lastname: Cheng
authors.forename: Kai-Xian
authors.initials: KX
authors.lastname: Chen
mesh_terms: D000470:Alkaloids / Q000737:chemistry* / Q000494:pharmacology; D000970:Antineoplastic Agents / Q000737:chemistry* / Q000494:pharmacology; D002455:Cell Division / Q000187:drug effects; D006801:Humans; D007211:Indoles / Q000737:chemistry / Q000494:pharmacology; D008386:Marine Biology; D021281:Quantitative Structure-Activity Relationship
chemical_list: D000470:Alkaloids; D000970:Antineoplastic Agents; D007211:Indoles