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Modeling predicts facile release of nitrite but not nitric oxide from the thionitrate CH3SNO2 with relevance to nitroglycerin bioactivation

Author(s): Parmar V; Orabi EA; English AM; Peslherbe GH;

Nitroglycerin is a potent vasodilator in clinical use since the late 1800s. It functions as a prodrug that is bioactivated by formation of an enzyme-based thionitrate, E-Cys-NO2. This intermediate reportedly decomposes to release NO and NO2- but their relative yields remain controversial. Hence, we determined barriers for NO and NO2- production from the m ...

Article GUID: 39738238


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