title: Design, synthesis and 3D-QSAR study of cytotoxic flavonoid derivatives.
abstract: Three series of flavonoid derivatives were designed and synthesized. All synthesized compounds were evaluated for cytotoxic activities against five human cancer cell lines, including K562, PC-3, MCF-7, A549, and HO8910. Among the compounds tested, compound 9 d exhibited the most potent cytotoxic activity with IC(50) values of 2.76-6.98 μM. Further comparative molecular field analysis was performed to conduct a 3D quantitative structure-activity relationship study. The generated 3D-QSAR model could be used for further rational design of novel flavonoid analogs as highly potent cytotoxic agents.
authors.affiliation: Institute of Materia Medica, College of Pharmaceutical Sciences, Zhejiang University, Zijingang Campus, Hangzhou, Zhejiang 310058, People's Republic of China.
authors.forename: Lili
authors.initials: L
authors.lastname: Ou
authors.forename: Shuang
authors.initials: S
authors.lastname: Han
authors.forename: Wenbo
authors.initials: W
authors.lastname: Ding
authors.forename: Zhe
authors.initials: Z
authors.lastname: Chen
authors.forename: Ziqi
authors.initials: Z
authors.lastname: Ye
authors.forename: Hongyu
authors.initials: H
authors.lastname: Yang
authors.forename: Goulin
authors.initials: G
authors.lastname: Zhang
authors.forename: Yijia
authors.initials: Y
authors.lastname: Lou
authors.forename: Jian-Zhong
authors.initials: JZ
authors.lastname: Chen
authors.forename: Yongping
authors.initials: Y
authors.lastname: Yu
mesh_terms: D000970:Antineoplastic Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D045744:Cell Line, Tumor; D015195:Drug Design; D004354:Drug Screening Assays, Antitumor; D005419:Flavonoids / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D006801:Humans; D008958:Models, Molecular; D021281:Quantitative Structure-Activity Relationship
chemical_list: D000970:Antineoplastic Agents; D005419:Flavonoids