title: Antiproliferative evaluation of N-sulfonyl-2-alkyl-six membered azacycles. A QSAR study.
abstract: A series of functionalized N-sulfonyl-piperidines and N-sulfonyl-tetrahydropyridines were evaluated for their antiproliferative activity against the representative panel of human solid tumor cells A2780 (ovarian), SW1573 (non-small cell lung) and WiDr (colon). The SAR study showed for WiDr cells a correlation between the biological activity and the length of the N-sulfonyl group, the nature of the substituents and the type of alkyl side chain. Further QSAR studies indicate that the size and nature of the N-sulfonyl group, the atomic polarizability (MP) and the partition coefficient are the most important descriptors for the activity. The major contribution is the size (F05C-S) of the N-sulfonyl group.
authors.forename: Rubén M
authors.initials: RM
authors.lastname: Carballo
authors.forename: Leticia G
authors.initials: LG
authors.lastname: León
authors.forename: Ramiro F
authors.initials: RF
authors.lastname: Quijano-Quiñones
authors.forename: Gonzalo J
authors.initials: GJ
authors.lastname: Mena-Rejón
authors.forename: Víctor S
authors.initials: VS
authors.lastname: Martín
authors.forename: José M
authors.initials: JM
authors.lastname: Padrón
authors.affiliation: Instituto de Productos Naturales y Agrobiologia, CSIC, C/Astrofisico Francisco Sanchez 3, 38206 La Laguna, Spain. jipadron@ipna.csic.es.
authors.forename: Juan I
authors.initials: JI
authors.lastname: Padrón
mesh_terms: D000970:Antineoplastic Agents / Q000737:chemistry* / Q000494:pharmacology; D001372:Aza Compounds / Q000737:chemistry* / Q000494:pharmacology; D045744:Cell Line, Tumor; D049109:Cell Proliferation / Q000187:drug effects*; D006571:Heterocyclic Compounds / Q000737:chemistry* / Q000494:pharmacology; D006801:Humans; D021281:Quantitative Structure-Activity Relationship; D013450:Sulfones / Q000737:chemistry* / Q000494:pharmacology
chemical_list: D000970:Antineoplastic Agents; D001372:Aza Compounds; D006571:Heterocyclic Compounds; D013450:Sulfones