ELECTROSTATIC FORCES IN THE INHIBITION OF DIHYDROFOLATE REDUCTASE BY METHOTREXATE. A FIELD POTENTIAL STUDY

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概要

• 論文の詳細を見る

• Methotrexate (MTX) is a high affinity inhibitor of the reaction catalyzed by dihydrofolate reductase (DHFR) from Lactobacillus casei. MTX is a folic acid analogue, being effective in the treatment of neoplastic disease in humans. In order to understand the mechanism of its inhibition from an electrostatic point of view, we calculated electrostatic potentials originating from MTX, NADPH (co-factor)-DHFR complex, NADPH and DHFR, individually. The mutual relationships between MTX and DHFR-NADPH and between NADPH and DHFR were then visualized and compared with the simultaneous geometrical analysis, using a raster computer graphic technique. Complete complementalities of the electrostatic potential and the field electrostatic potential are communicated between MTX and the NADPH-DHFR complex and between NADPH and DHFR.

• 社団法人日本薬学会の論文
• 1984-08-25

著者

• 梅山 秀明

  School of Pharmaceutical Sciences, Kitasato University

• 梅山 秀明

  School Of Pharmaceutical Sciences Kitasato University

• 中村 春木

  Protein Engineering Research Institute

• 小松 克一郎

  School of Pharmaceutical Sciences, Kitasato University

• 中川 節子

  School of Pharmaceutical Sciences, Kitasato University

• 中村 春木

  Department of Applied Physics, Faculty of Engineering, University of Tokyo

• 中川 節子

  北里大学薬学部

• 中川 節子

  School Of Pharmaceutical Sciences Kitasato University

• 小松 克一郎

  School Of Pharmaceutical Sciences Kitasato University

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