Conformational Analysis of 1-[3-(Adenin-9-yl) propyl]-3-carbamoylpyridinium Cation : a Model Study for the Intramolecular Interaction of Nicotinamide Adenine Dinucleotide
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概要
- 論文の詳細を見る
As a model study of the intramolecular interaction between the adenine and pyridinium rings of nicotinamide adenine dinucleotide (NAD^+), conformational analysis of 1-[3-(adenin-9-yl) propyl]-3-carbamoylpyridinium cation was carried out by means of semiempirical energy calculation. The extended conformation of the molecule, which was observed in the crystal structure, was found to be energetically a metastable one. The most energetically stable conformations seem to be folded forms, especially forms in which the two aromatic rings are stacked ; four kinds of stacking modes were observed.
- 公益社団法人日本薬学会の論文
- 1981-12-25
著者
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石田 寿昌
Osaka University of Pharmaceutical Sciences
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井上 正敏
Osaka University of Pharmaceutical Sciences
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宮本 洋子
Osaka College Of Pharmacy
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井上 正敏
Department Of Physical Chemistry Osaka University Of Pharmaceutical Sciences
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