5-Lipoxyhenase의 저해제인 catechol류에 대한 구조-활성관계를 검토하였다. Catechol 유사체의 활성자리와 수용체가 작용하는 약물-수용체 상호작용 모델을 설정하여 가하학적, 전기적 파라미터를 구하여 생리활성과의 상관관계를 분석, 다중회귀분석을 실시하였다.
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.
