DOCKING OF TYROSINASE CICLOARTANE INHIBITORS

被引：0
|
作者：
Gutierrez, Pablo A. [1 ]
Rojano, Benjamin A. [1 ]
机构：
[1] Univ Nacl Colombia Medellin, Grp Prod Nat & Alimentos, Lab Ciencia Alimentos, Fac Ciencias, Medellin 3840, Colombia
来源：
VITAE-REVISTA DE LA FACULTAD DE QUIMICA FARMACEUTICA | 2009年 / 16卷 / 02期
关键词：
docking; tyrosinase; cicloartane; inhibitor; ANTIINFLAMMATORY ACTIVITY; CRYSTAL-STRUCTURE; FORCE-FIELD; MODELS; CYCLOARTANE;
D O I：
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摘要：
Berenjenol (21:24-epoxy-24-methyl-cicloartane) isolated from leaves of Oxandra cf xylopioides (Annonaceae), and its synthetic derivatives Berenjenol-3-acetate and 3-Oxoberenjenol are tyrosinase inhibitors (EC 1.14.18.1). These compounds are triterpenoids type cycloartanes, whose structure-activity relationship has been studied on similar compounds. However, the mechanism of inhibition of these molecules is not well understood. This paper present the results of a docking study between Berenjenol and its derivatives on tyrosinase enzyme that provides a rational framework for understanding the activity of these compounds. According to this work, Berenjenol acts as a competitive inhibitor of tyrosinase through interactions with Ile42, Met43 Arg55, Trp184, Asn191, His194, Val195, Ala202, Met201 and Thr203.
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页码：245 / 251
页数：7
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