title: 3-D QSAR studies on new dibenzyltin(IV) anticancer agents by comparative molecular field analysis (CoMFA).
abstract: Dibenzyltin(IV)dichloride and dibenzyltin(IV)diisothiocyanate derivatives with N,S-donor ligands show significant cytotoxic activities against human cancer cell lines, and are well compared to analogous dialkyltin(IV) derivatives. CoMFA models were generated for the first time for these organotin derivatives using the cytotoxic activities (against two human tumor cell lines, MCF-7, a mammary carcinoma and WiDr, a colon carcinoma) of 21 complexes. High r(2) and r(2)(cv) values for both CoMFA models indicate good predictive power for the models.
authors.affiliation: Metallo-Organic Laboratory, Indian Institute of Chemical Technology, 500007, Hyderabad, India.
authors.forename: Purnima M
authors.initials: PM
authors.lastname: Samuel
authors.forename: Dick
authors.initials: D
authors.lastname: de Vos
authors.forename: D
authors.initials: D
authors.lastname: Raveendra
authors.forename: J A R P
authors.initials: JA
authors.lastname: Sarma
authors.forename: Sujit
authors.initials: S
authors.lastname: Roy
mesh_terms: D000284:Administration, Oral; D000818:Animals; D000970:Antineoplastic Agents / Q000737:chemistry* / Q000494:pharmacology / Q000633:toxicity; D001593:Benzyl Compounds / Q000737:chemistry* / Q000494:pharmacology / Q000633:toxicity; D016923:Cell Death / Q000187:drug effects; D004353:Drug Evaluation, Preclinical; D006801:Humans; D008024:Ligands; D051379:Mice; D008958:Models, Molecular; D009947:Organotin Compounds / Q000737:chemistry* / Q000494:pharmacology / Q000633:toxicity; D021281:Quantitative Structure-Activity Relationship; D014407:Tumor Cells, Cultured / Q000187:drug effects
chemical_list: D000970:Antineoplastic Agents; D001593:Benzyl Compounds; D008024:Ligands; D009947:Organotin Compounds; C070406:dibenzyltin dichloride