title: Antiproliferative activity and QSAR studies of a series of new 4-aminomethylidene derivatives of some pyrazol-5-ones.
abstract: Twenty five 4-aminomethylidene derivatives obtained from 3-phenyl-2-pyrazolin-5-one and 1,3-diphenyl-2-pyrazolin-5-one were synthesized and tested for their antiproliferative activity against human breast cancer MDA-MB-361 and MDA-MB-453 cell lines. The compounds derived from 1,3-diphenyl-2-pyrazolin-5-one exhibited the most remarkable activity in the treatment of both cell lines. In vitro antiproliferative activities were accompanied by an important apoptotic fraction of both cell lines; also, compounds inhibited key endothelial cell functions implicated in invasion and angiogenesis. QSAR methods were performed in order to analyze the influence of structural features of the compounds investigated on the antiproliferative potential on MDA-MB-361 and MDA-MB-453 cancer cells. One-parameter heuristic analysis was performed and different whole molecule and fragmental descriptors were considered for rationalization of mechanism of interaction of these compounds with active place of hypothetical target included in tumorigenesis.
authors: Faculty of Sciences, Department of Chemistry, University of Kragujevac, Kragujevac, Serbia.
authors: Violeta
authors: V
authors: Marković
authors: Slavica
authors: S
authors: Erić
authors: Tatjana
authors: T
authors: Stanojković
authors: Nevenka
authors: N
authors: Gligorijević
authors: Sandra
authors: S
authors: Aranđelović
authors: Nina
authors: N
authors: Todorović
authors: Snežana
authors: S
authors: Trifunović
authors: Nedeljko
authors: N
authors: Manojlović
authors: Ratomir
authors: R
authors: Jelić
authors: Milan D
authors: MD
authors: Joksović
mesh_terms: D000970:Antineoplastic Agents / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D017209:Apoptosis / Q000187:drug effects; D045744:Cell Line, Tumor; D004354:Drug Screening Assays, Antitumor; D006801:Humans; D047069:Pyrazolones / Q000737:chemistry*; D021281:Quantitative Structure-Activity Relationship
chemical_list: D000970:Antineoplastic Agents; D047069:Pyrazolones