Encounter with unexpected collagenase-1 selective inhibitor: Switchover of inhibitor binding pocket induced by fluorine atom

Masaaki Sawa, Hirosato Kondo, Shinichiro Nishimura

研究成果: ジャーナルへの寄稿記事

8 引用 (Scopus)

抄録

Phosphonamide-based inhibitors having trifluoromethyl moiety showed highly selective inhibition against MMP-1. A possible mechanism of the selectivity of MMP-1 inhibitors through the switchover of the binding pocket was speculated by computational calculations. As a consequence of the unexpected selectivity, the specific interaction of CF3 group of the inhibitor and Arg214 in the S1′ pocket of MMP-1 conducted a low binding energy.

元の言語英語
ページ(範囲)581-584
ページ数4
ジャーナルBioorganic and Medicinal Chemistry Letters
12
発行部数4
DOI
出版物ステータス出版済み - 2 25 2002
外部発表Yes

Fingerprint

Fluorine
Matrix Metalloproteinases
Atoms
Matrix Metalloproteinase Inhibitors
Binding energy
collagenase 1

All Science Journal Classification (ASJC) codes

  • Biochemistry
  • Molecular Medicine
  • Molecular Biology
  • Pharmaceutical Science
  • Drug Discovery
  • Clinical Biochemistry
  • Organic Chemistry

これを引用

Encounter with unexpected collagenase-1 selective inhibitor : Switchover of inhibitor binding pocket induced by fluorine atom. / Sawa, Masaaki; Kondo, Hirosato; Nishimura, Shinichiro.

:: Bioorganic and Medicinal Chemistry Letters, 巻 12, 番号 4, 25.02.2002, p. 581-584.

研究成果: ジャーナルへの寄稿記事

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