Journal article
Monte Carlo‐minimized energy profile of estradiol in the ligand‐binding tunnel of 17β‐hydroxysteroid dehydrogenase: Atomic mechanisms of steroid recognition
Abstract
17 beta-Estradiol (E2) is a potent stimulator of certain forms of breast cancer. The final step of E2 biosynthesis is catalyzed by the estrogenic 17 beta-hydroxysteroid dehydrogenase (17 beta-HSD1), which is an important target for anti-cancer drugs. X-ray crystallography indicated that the binding site for the steroids has a tunnel-like shape. We have used a Monte Carlo-Minimization (MCM) protocol to explore possibilities of interactions of E2 …
Authors
Zhorov BS; Lin S
Journal
Proteins Structure Function and Bioinformatics, Vol. 38, No. 4, pp. 414–427
Publisher
Wiley
Publication Date
March 1, 2000
DOI
10.1002/(sici)1097-0134(20000301)38:4<414::aid-prot7>3.0.co;2-x
ISSN
0887-3585