A Molecular Orbital Study on the Approach of Hydride Ion to NAD^+ as a Coenzyme
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概要
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An ab initio molecular orbital study on the approach of a hydride ion (H^-) to NAD^+ as a coenzyme was performed. The nicotinamide ring (NA) of NAD^+ is attacked by H^- at the 4-position in an enzyme such as lactate dehydrogenase. It was found that the order of the electrophilic reactivity was 4-position > 2-position > 6-position, considering the total π electron densities and the frontier electron densities. Thus, it appears that the reactivity of the 4-position of NA of NAD^+ may be due to its electronic nature rather than to steric factors involving amino acid residues of the enzyme.
- 社団法人日本薬学会の論文
- 1980-04-25
著者
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梅山 秀明
School of Pharmaceutical Sciences, Kitasato University
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梅山 秀明
School Of Pharmaceutical Sciences Kitasato University
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