title: Design, synthesis and docking study of 5-amino substituted indeno[1,2-c]isoquinolines as novel topoisomerase I inhibitors.
abstract: Various 5-amino group-substituted indeno[1,2-c]isoquinolines 7a-f were synthesized based on the previous QSAR study as rigid structures of 3-arylisoquinolines. Amino group-substituted compounds, especially 5-piperazinyl indeno[1,2-c]isoquinoline 7f, displayed potent topoisomerase I inhibitory activity as well as cytotoxicities against five different tumor cell lines. A Surflex-Dock docking model of 7f was also studied.
authors.affiliation: College of Pharmacy and Research Institute of Drug Development, Chonnam National University, Gwangju 500-757, Republic of Korea.
authors.forename: Daulat Bikram
authors.initials: DB
authors.lastname: Khadka
authors.forename: Quynh Manh
authors.initials: QM
authors.lastname: Le
authors.forename: Su Hui
authors.initials: SH
authors.lastname: Yang
authors.forename: Hue Thi My
authors.initials: HT
authors.lastname: Van
authors.forename: Thanh Nguyen
authors.initials: TN
authors.lastname: Le
authors.forename: Suk Hee
authors.initials: SH
authors.lastname: Cho
authors.forename: Youngjoo
authors.initials: Y
authors.lastname: Kwon
authors.forename: Kyung-Tae
authors.initials: KT
authors.lastname: Lee
authors.forename: Eung-Seok
authors.initials: ES
authors.lastname: Lee
authors.forename: Won-Jea
authors.initials: WJ
authors.lastname: Cho
mesh_terms: D001665:Binding Sites; D045744:Cell Line, Tumor; D003198:Computer Simulation; D004264:DNA Topoisomerases, Type I / Q000737:chemistry* / Q000378:metabolism; D015195:Drug Design; D006801:Humans; D007546:Isoquinolines / Q000138:chemical synthesis / Q000737:chemistry* / Q000633:toxicity; D010879:Piperazines / Q000138:chemical synthesis* / Q000737:chemistry / Q000633:toxicity; D021281:Quantitative Structure-Activity Relationship; D059004:Topoisomerase I Inhibitors / Q000138:chemical synthesis* / Q000737:chemistry / Q000633:toxicity
chemical_list: C559077:5-piperazin-1-ylindeno(1,2-c)isoquinolin-11-one; D007546:Isoquinolines; D010879:Piperazines; D059004:Topoisomerase I Inhibitors; D004264:DNA Topoisomerases, Type I