title: Cytotoxic effect and molecular docking of 4-ethoxycarbonylmethyl-1-(piperidin-4-ylcarbonyl)-thiosemicarbazide--a novel topoisomerase II inhibitor.
abstract: The preliminary cytotoxic effect of 4-ethoxycarbonylmethyl-1-(piperidin-4-ylcarbonyl)-thiosemicarbazide hydrochloride (1)-a potent topoisomerase II inhibitor-was measured using a MTT assay. It was found that the compound decreased the number of viable cells in both estrogen receptor-positive MCF-7 and estrogen receptor-negative MDA-MB-231breast cancer cells, with IC(50) values of 146 ± 2 and 132 ± 2 μM, respectively. To clarify the molecular basis of the inhibitory action of 1, molecular docking studies were carried out. The results suggest that 1 targets the ATP binding pocket.
authors.affiliation: Department of Organic Chemistry, Faculty of Pharmacy, Medical University, Chodźki 4a, 20-093 Lublin, Poland. agata.siwek@am.lublin.pl
authors.forename: Agata
authors.initials: A
authors.lastname: Siwek
authors.forename: Paweł
authors.initials: P
authors.lastname: Stączek
authors.forename: Monika
authors.initials: M
authors.lastname: Wujec
authors.forename: Krzysztof
authors.initials: K
authors.lastname: Bielawski
authors.forename: Anna
authors.initials: A
authors.lastname: Bielawska
authors.forename: Piotr
authors.initials: P
authors.lastname: Paneth
mesh_terms: D000255:Adenosine Triphosphate / Q000378:metabolism*; D001943:Breast Neoplasms / Q000188:drug therapy*; D045744:Cell Line, Tumor; D002470:Cell Survival / Q000187:drug effects; D004250:DNA Topoisomerases, Type II / Q000378:metabolism*; D004354:Drug Screening Assays, Antitumor; D005260:Female; D006801:Humans; D061986:MCF-7 Cells; D062105:Molecular Docking Simulation; D010880:Piperidines / Q000378:metabolism / Q000494:pharmacology*; D012663:Semicarbazides / Q000378:metabolism / Q000494:pharmacology*; D059005:Topoisomerase II Inhibitors / Q000378:metabolism / Q000494:pharmacology*
chemical_list: C582767:4-ethoxycarbonylmethyl-1-(piperidin-4-ylcarbonyl)thiosemicarbazide; D010880:Piperidines; D012663:Semicarbazides; D059005:Topoisomerase II Inhibitors; C005151:thiosemicarbazide; D000255:Adenosine Triphosphate; D004250:DNA Topoisomerases, Type II