Title

抑制劑Benzaldehyde-O-alkyloximes對酪胺酸酶活性抑制QSAR模型

Translated Titles

QSAR Model of Benzaldehyde-O-alkyloximes Inhibitors Exhibiting Tyrosinase Inhibitory Activity

DOI

10.7095/JCUST.201107.0213

Authors

李柏堅(Bo-Jian Li);徐令儀(Ling-Yih Hsu)

Key Words

酪胺酸酶抑制劑 ; 結構-活性相關性 ; 路徑分析 ; tyrosinase inhibitors ; structure-activity relationship ; path analysis

PublicationName

中華科技大學學報

Volume or Term/Year and Month of Publication

48期(2011 / 07 / 01)

Page #

213 - 225

Content Language

繁體中文

Chinese Abstract

本研究利用路徑分析(path analysis)與多元廻歸方程式(multiple regression analysis)探討酪胺酸酶抑制劑benzaldehyde-O-alkyloximes之化學結構與生物活性之關係,並建立量化構效關係(quantitative structure activity relationship, QSAR)模型。由研究模型發現酪胺酸酶活性抑制大小與抑制劑化學分子芳香環上氫原子方位配置有最大相關性,影響因素居次的是化學分子極性表面積,電子性與親水性也稍有間接的影響,最佳的化學結構與生物活性QSAR模型為:IC50=-1.264+2.046•H(下標 R(1+4+5))+0.055•PSA+0.429•Dipole

English Abstract

The quantitative structure activity relationship (QSAR) model of benzaldehyde--O-alkyloximes inhibitors was investigated via path analysis and multiple regression analysis. The results suggested that the 1, 4, 5 positions of the hydrogen on the benzaldehyde ring, polar surface area and dipole play an important role in tyrosinase inhibitory activity. The relationship can be expressed by the following regression equation: IC50=-1.264+2.046•H(subscript R(1+4+5))+0.055•PSA+0.429•Dipole

Topic Category 人文學 > 人文學綜合
醫藥衛生 > 醫藥衛生綜合
工程學 > 工程學綜合
社會科學 > 社會科學綜合