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Theoretical evaluation of suspected enzymatic hydrolysis of Novichok agents
Catalysis Communications ( IF 3.4 ) Pub Date : 2018-12-11 , DOI: 10.1016/j.catcom.2018.11.019 Ilya Lyagin , Elena Efremenko
中文翻译:
诺维可克试剂可疑酶解的理论评估
更新日期:2018-12-11
Catalysis Communications ( IF 3.4 ) Pub Date : 2018-12-11 , DOI: 10.1016/j.catcom.2018.11.019 Ilya Lyagin , Elena Efremenko
The possible hydrolysis of various Novichok agents and products of their degradation by organophosphorus hydrolase (OPH) and its genetically His6-modified form was investigated by computer modeling via docking of substrate to enzyme active center. Magnitude of potential values of catalytic characteristics of enzyme(s) with such substrates was estimated.
中文翻译:
诺维可克试剂可疑酶解的理论评估
通过计算机建模,通过底物与酶活性中心的对接,研究了各种Novichok试剂可能的水解及其通过有机磷水解酶(OPH)降解的产物及其遗传上的His 6修饰形式。估计了具有这种底物的酶催化特性的潜在值的大小。