title: Synthesis and docking studies of novel benzopyran-2-ones with anticancer activity.
abstract: Novel series of 7-substituted-benzopyran-2-ones was synthesized by incorporating heterocyclic rings as oxadiazole, triazole, pyrazole or pyrazolin-5-one to benzopyran-2-one nucleus at p-7 via methylene-oxy or acetoxy linker. In-vitro anticancer activity was evaluated for these hybrids; twelve compounds were selected by National Cancer Institute for anticancer screening. Among them, compound 9a exhibited broad spectrum antitumor activity showing full panel median growth inhibition (GI(50)) = 5.46 microM. According to docking results using Molsoft ICM 3.4-8c program, the target compounds may act through inhibition of topoismerase 1, where camptothecin is used as ligand.
authors.affiliation: Department of Pharmaceutical Chemistry, Faculty of Pharmacy (Girls), 11754 Al-Azhar University, Cairo, Egypt. magdafathi_111@hotmail.com
authors.forename: Magda M F
authors.initials: MM
authors.lastname: Ismail
authors.forename: Heba S
authors.initials: HS
authors.lastname: Rateb
authors.forename: Mohammad M M
authors.initials: MM
authors.lastname: Hussein
mesh_terms: D000970:Antineoplastic Agents / Q000138:chemical synthesis / Q000737:chemistry / Q000378:metabolism* / Q000494:pharmacology*; D020134:Catalytic Domain; D045744:Cell Line, Tumor; D003374:Coumarins / Q000138:chemical synthesis / Q000737:chemistry / Q000378:metabolism* / Q000494:pharmacology*; D004264:DNA Topoisomerases, Type I / Q000737:chemistry / Q000378:metabolism; D006801:Humans; D020128:Inhibitory Concentration 50; D008958:Models, Molecular; D059004:Topoisomerase I Inhibitors / Q000138:chemical synthesis / Q000737:chemistry / Q000378:metabolism / Q000494:pharmacology
chemical_list: D000970:Antineoplastic Agents; D003374:Coumarins; D059004:Topoisomerase I Inhibitors; D004264:DNA Topoisomerases, Type I