title: Discovery and SAR exploration of N-aryl-N-(3-aryl-1,2,4-oxadiazol-5-yl)amines as potential therapeutic agents for prostate cancer.
abstract: A new chemical series of antiproliferative compounds was identified via high-throughput screening on DU-145 human prostate carcinoma cell line (hit compound potency - 5.7 microM). Exploration of the two peripheral diversity vectors of the hit molecule in a hit-targeted library and testing of the resulting compounds led to SAR generalizations and identification of the 'best' pharmacophoric moieties. The latter were merged in a single compound that exhibited a 200-fold better potency than the original hit compound. Specific cancer cell cytotoxicity was confirmed for the most potent compounds.
authors.affiliation: Department of Medicinal Chemistry, Chemical Diversity Research Institute, Khimki, Moscow Region, Russian Federation.
authors.forename: Mikhail
authors.initials: M
authors.lastname: Krasavin
authors.forename: Konstantin A
authors.initials: KA
authors.lastname: Rufanov
authors.forename: Andrey V
authors.initials: AV
authors.lastname: Sosnov
authors.forename: Ruben
authors.initials: R
authors.lastname: Karapetian
authors.forename: Elena
authors.initials: E
authors.lastname: Godovykh
authors.forename: Olga
authors.initials: O
authors.lastname: Soldatkina
authors.forename: Yan
authors.initials: Y
authors.lastname: Lavrovsky
authors.forename: Andrei A
authors.initials: AA
authors.lastname: Gakh