Synthesis, biological evaluations, and tubulin binding poses of C-2alpha sulfur linked taxol analogues.
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.
Wang
Lei
L
Institute of Materia Medica, Chinese Academy of Medical Sciences, 1 Xian Nong Tan Street, Beijing 100050, PR China.
Alcaraz
Ana A
AA
Matesanz
Ruth
R
Yang
Chun-Gang
CG
Barasoain
Isabel
I
Díaz
J Fernando
JF
Li
Ye-Zhi
YZ
Snyder
James P
JP
Fang
Wei-Shuo
WS
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*
D043823:Taxoids; D014404:Tubulin; D050257:Tubulin Modulators; D013455:Sulfur; D017239:Paclitaxel