title: In-vitro antiproliferative activity of benzopyranone derivatives in comparison with standard chemotherapeutic drugs.
abstract: The cytotoxic activities of five new benzopyranone derivatives containing basic amino side chain are described. Their cytotoxicities against ER(+) MCF-7 and ER(-) MDA-MB-231 human breast cancer cell lines, and Ishikawa human endometrial cell line were determined after 72 h drug exposure employing CellTiter-Glo assay at concentrations ranging from 0.01-1.0 × 10(5) nM. The antiproliferative activities of these compounds were compared to tamoxifen (TAM), 4-hydroxytamoxifen (4-OHT, active metabolite of tamoxifen), and raloxifene (RAL). In-vitro results indicated that compounds 9, 10, 12, and 13 were more potent than TAM against the human breast cancer cell lines with IC(50)  < 20 µM. The in-silico structure-activity relationships of these compounds and their binding mode within the estrogen receptor (ER) binding site using AutoDock vina are discussed.
authors.affiliation: Florida A&M University, College of Arts and Sciences, Department of Chemistry, Tallahassee, FL, USA. musiliyu.musa@famu.edu
authors.forename: Musiliyu A
authors.initials: MA
authors.lastname: Musa
authors.forename: John S
authors.initials: JS
authors.lastname: Cooperwood
authors.forename: M Omar F
authors.initials: MO
authors.lastname: Khan
authors.forename: Taufiq
authors.initials: T
authors.lastname: Rahman
mesh_terms: D018931:Antineoplastic Agents, Hormonal / Q000737:chemistry / Q000494:pharmacology*; D045744:Cell Line, Tumor; D049109:Cell Proliferation / Q000187:drug effects*; D003374:Coumarins / Q000737:chemistry / Q000494:pharmacology*; D004354:Drug Screening Assays, Antitumor / Q000379:methods; D006801:Humans; D008958:Models, Molecular; D020849:Raloxifene Hydrochloride / Q000494:pharmacology; D011960:Receptors, Estrogen / Q000378:metabolism; D013329:Structure-Activity Relationship; D013629:Tamoxifen / Q000031:analogs & derivatives / Q000494:pharmacology
chemical_list: D018931:Antineoplastic Agents, Hormonal; D003374:Coumarins; D011960:Receptors, Estrogen; D013629:Tamoxifen; C016601:afimoxifene; D020849:Raloxifene Hydrochloride