• Title/Summary/Keyword: 4,5-diarylpyrroles

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Docking Mode of 4,5-Diarylpyrroles into Cyclooxygenase-1 and Cyclooxygenase-2 (Cyclooxygenase-1과 Cyclooxygenase-2에 대한 4,5-Diarylpyrroles의 Docking Mode)

  • 이종달;도성탁;구본기
    • YAKHAK HOEJI
    • /
    • v.43 no.6
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    • pp.776-781
    • /
    • 1999

  • Dockings of 4,5-diarylpyrroles into cyclooxygenase-1 and cyclooxygenase-2 were carried out by GOLD program. The sulfonyl groups bonded to 5-phenyl ring of 4,5-diarylpyrroles are directed to Arg513 of COX-2 and Tyr385 of COX-2 docking modes of pyrroles are different from COX-1. Tyr385 and Arg120 of COX-1 and COX-2 have been recognized as important residues. Val523 of COX-2 may be also important. A new COX-2 selective inhibitors could be designed from the docking study.

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