title: CoMFA and CoMSIA studies of 1,2-dihydropyridine derivatives as anticancer agents.
abstract: Taking advantage of our in-house experimental data on 3-cyano-2-imino-1, 2-dihydropyridine and 3-cyano-2- oxo-1,2-dihydropyridine derivatives as inhibitors of the growth of the human HT-29 colon adenocarcinoma tumor cell line, we have established a highly significant CoMFA and CoMSIA models (q2cv=0.70/0.639). The models were investigated to assure their stability and predictivity (r2pred=0.65/0.61) and successfully applied to design two new potential cell growth inhibitory agents with IC50s in the submicromolar range.
authors.affiliation: Department of Pharmaceutical Chemistry, Faculty of Pharmacy and Biotechnology, German University in Cairo, Cairo 11835, Egypt.
authors.forename: Ismail
authors.initials: I
authors.lastname: Salama
authors.forename: Mohamed A O
authors.initials: MA
authors.lastname: Abdel-Fattah
authors.forename: Marwa S
authors.initials: MS
authors.lastname: Hany
authors.forename: Shaimaa A
authors.initials: SA
authors.lastname: El-Sharif
authors.forename: Mahmoud A M
authors.initials: MA
authors.lastname: El-Naggar
authors.forename: Rasha M H
authors.initials: RM
authors.lastname: Rashied
authors.forename: Gary A
authors.initials: GA
authors.lastname: Piazza
authors.forename: Ashraf H
authors.initials: AH
authors.lastname: Abadi
mesh_terms: D000970:Antineoplastic Agents / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D049109:Cell Proliferation / Q000187:drug effects; D004095:Dihydropyridines / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D004305:Dose-Response Relationship, Drug; D004354:Drug Screening Assays, Antitumor; D006801:Humans; D015394:Molecular Structure; D021281:Quantitative Structure-Activity Relationship; D013237:Stereoisomerism; D014407:Tumor Cells, Cultured
chemical_list: D000970:Antineoplastic Agents; D004095:Dihydropyridines