title: Design, synthesis, biological evaluation, and molecular docking studies of quinolone derivatives as potential antitumor topoisomerase I inhibitors.
abstract: A novel series of quinolone derivatives (6a-n) were designed and synthesized, and their biological activities were evaluated as potential antitumor topoisomerase I (Top I) inhibitors. Among these compounds, 6j exhibited the most potent antitumor activities against multiple cancer cell lines. Docking simulation was performed to insert compound 6j into the crystal structure of DNA-Top I to determine the probable binding model.
authors.affiliation: People's Hospital of Zhuji, China..
authors.forename: Kai-jun
authors.initials: KJ
authors.lastname: Shou
authors.forename: Jie
authors.initials: J
authors.lastname: Li
authors.forename: Yi
authors.initials: Y
authors.lastname: Jin
authors.forename: Yan-wen
authors.initials: YW
authors.lastname: Lv
mesh_terms: D000970:Antineoplastic Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000633:toxicity; D001665:Binding Sites; D045744:Cell Line, Tumor; D002470:Cell Survival / Q000187:drug effects; D004264:DNA Topoisomerases, Type I / Q000737:chemistry* / Q000378:metabolism; D015195:Drug Design; D004353:Drug Evaluation, Preclinical; D004354:Drug Screening Assays, Antitumor; D006367:HeLa Cells; D006801:Humans; D006860:Hydrogen Bonding; D062105:Molecular Docking Simulation; D017434:Protein Structure, Tertiary; D015363:Quinolones / Q000138:chemical synthesis / Q000737:chemistry* / Q000633:toxicity; D059004:Topoisomerase I Inhibitors / Q000138:chemical synthesis* / Q000737:chemistry / Q000633:toxicity
chemical_list: D000970:Antineoplastic Agents; D015363:Quinolones; D059004:Topoisomerase I Inhibitors; D004264:DNA Topoisomerases, Type I