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本文对胆碱脂酶脂解部位的组氨酸、丝氨酸等残基间的氢键问题做了CNDO/2的量子化学计算,从理论上讨论了乙酰胆碱酶催化水解反应中谁作为亲核基团向底物进攻的问题,得到一些有益的结果。
In this paper, we calculated the quantum chemical of CNDO / 2 by hydrogen bond between the residues of histidine and serine in lipolysis site of cholinesterase, and theoretically discussed who as a nucleophilic group in the catalytic hydrolysis of acetylcholine Attack on the substrate to get some useful results.