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KMID : 1059519950390090741
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Journal of the Korean Chemical Society
1995 Volume.39 No. 9 p.741 ~ p.748
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Structure-Activity Relationship. A Theoretical Study of Catechol Derivatives as 5-Lipoxygenase Inhibitor
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Park Seong-Sik
Kim Sang-Yun
Chung Duck-Young
Yoh Soo-Dong
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Abstract
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Various catechol derivatives inhibiting 5-lipoxygenase were studied with theoretical calculations and QSAR study. It was hypothesized that receptor site model could accept the active site of the catechol derivatives. The molecular length, molecular surface area, C5 net charge, HOMO/LUMO energy, van der Waals surface area and volume were used as variables to find the relationships between activity and physicochemical parameters.
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