苯乙双胍在人体内形成一氧化氮的机理研究

The mechanism of NO formed by phenformin in human body

探讨了一氧化氮 (NO)在一氧化氮合酶 (NOS)的作用下通过氧化苯乙双胍的末端氮原子N1而合成的机理。在这个过程中 ,化合物的氧化是通过过氧甲酸HCOOOH(Performicacid)来实现的。我们以AM1计算为基础 ,在NO形成的反应路径上 ,研究了化合物的中间产物 (speciesB、C、D、E) ,并得到了这些分子的最优化结构。此机制所释放的产物为HNO ,它很容易产生NO。通过研究C3 —O15和C3 —N1原子间距离的变化 。

Theis paper provides a reaction model based on the AM1 computations, in this mechanism. NO is synthesized from one of the teminal nitrogen of phenformin by the action of NO synthase. In the process, the oxidation of model compound is actualized through performic acid. We studied the intermediates(species B?C?D?E) of model compound based on the AM1 computation on the synthetic route of NO formation and attained the optimized structures of these molecules. The released product of the mechanism is HNO, which can produce NO easily. We can confirm the mechanism through observing the changes of C 3-N 1 and C 3-O 15 .