title: Synthesis, biological evaluations, and tubulin binding poses of C-2alpha sulfur linked taxol analogues.
abstract: In combination with chemical modifications, bioassays, and computational simulation techniques, C-2 benzoylthio, and benzylthio taxoids were synthesized, biologically evaluated, and their binding conformations rationalized, in order to probe the interaction of taxane molecule with beta-tubulin.
authors: Institute of Materia Medica, Chinese Academy of Medical Sciences, 1 Xian Nong Tan Street, Beijing 100050, PR China.
authors: Lei
authors: L
authors: Wang
authors: Ana A
authors: AA
authors: Alcaraz
authors: Ruth
authors: R
authors: Matesanz
authors: Chun-Gang
authors: CG
authors: Yang
authors: Isabel
authors: I
authors: Barasoain
authors: J Fernando
authors: JF
authors: Díaz
authors: Ye-Zhi
authors: YZ
authors: Li
authors: James P
authors: JP
authors: Snyder
authors: Wei-Shuo
authors: WS
authors: Fang
mesh_terms: D006801:Humans; D008968:Molecular Conformation; D017239:Paclitaxel / Q000031:analogs & derivatives*; D011487:Protein Conformation; D013329:Structure-Activity Relationship; D013455:Sulfur / Q000737:chemistry*; D043823:Taxoids / Q000138:chemical synthesis / Q000737:chemistry*; D014404:Tubulin / Q000737:chemistry*; D050257:Tubulin Modulators / Q000138:chemical synthesis / Q000737:chemistry*
chemical_list: D043823:Taxoids; D014404:Tubulin; D050257:Tubulin Modulators; D013455:Sulfur; D017239:Paclitaxel