DOCKING OF TYROSINASE CICLOARTANE INHIBITORS

作者：Gutierrez Pablo A^*; Rojano Benjamin A

来源：Vitae-Revista de la Facultad de Quimica Farmaceutica, 2009, 16(2): 245-251.

• docking
• tyrosinase
• cicloartane
• inhibitor

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.

• 出版日期2009-8