Structure-Activity Relationship. A Theoretical Study of Catechol Derivatives as 5-Lipoxygenase Inhibitor

구조-활성 상관관계. 5-Lipoxygenase의 저해제인 Catechol류에 관한 이론적 연구

  • Park, Seongsik (Department of Chemistry, Kyungsung University) ;
  • Kim, Sang-Yun (Department of Chemistry, Kyungsung University) ;
  • Chung, Duk-Young (Department of Chemistry Education, Kyungpook National University) ;
  • Yoh, Soo-Dong (Department of Chemistry Education, Kyungpook National University)
  • 박성식 (경성대학교 이과대학 화학과) ;
  • 김상윤 (경성대학교 이과대학 화학과) ;
  • 정덕영 (경북대학교 화학교육과) ;
  • 여수동 (경북대학교 화학교육과)
  • Published : 19950900

Abstract

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.

Keywords

References

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