Identification of Key Intermediates during the NO and H2S Crosstalk Signaling Pathways
Identification of Key Intermediates during the NO and H2S Crosstalk Signaling Pathways
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DOI：
10.1021/acs.jpca.7b11821
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发表时间：
2018-03-22
影响因子：
2.9
通讯作者：
Hochlaf, Majdi
中科院分区：
文献类型：
--
作者：
Cheraki, Mohamed;Al-Mogren, Muneerah Mogren;Hochlaf, Majdi
[S，S，N，O]（-）物种的稳定异构体和电子态的研究，特别关注的是可能参与生物介质中NO/H2S串扰途径的最相关的异构体。本工作确定了八种稳定的阴离子，其中包括已知的顺式-SSNO-和反式-SSNO-分子和一种新的NO3-样阴离子物种，NS 2 O-。我们的计算表明，先前在实验室实验中确定的结构是trans-SSNO-，这与体内生物活性无关。相反，NS 2 O-被认为是体内重要生物过程中最有可能的关键中间体。这一结果澄清了文献中相应的争议。
The stable isomers and electronic states of [S,S,N,O](-) species are investigated with a special focus on the most relevant isomers that could be involved in the NO/H2S cross-talk pathways in biological media. This work identifies eight stable anions, among which are the already known cis-SSNO- and trans-SSNO- molecules and a new NO3--like anionic species, NS2O-. Our computations show that the previously determined structure in lab experiment is trans-SSNO-, which is not relevant for biological activity in vivo. Instead, NS2O- is proposed as the most likely key intermediate in vivo during important biological processes. This result alleviates the corresponding controversy in the literature.