Latifi, Reza; Minnick, Jennifer L.; Quesne, Matthew G.; de Visser, Sam P.; Tahsini, Laleh published an article in 2020, the title of the article was Computational studies of DNA base repair mechanisms by nonheme iron dioxygenases: selective epoxidation and hydroxylation pathways.HPLC of Formula: 55662-66-3 And the article contains the following content:
DNA base repair mechanisms of alkylated DNA bases is an important reaction in chem. biol. and particularly in the human body. It is typically catalyzed by an ä¼?ketoglutarate-dependent nonheme iron dioxygenase named the AlkB repair enzyme. In this work we report a detailed computational study into the structure and reactivity of AlkB repair enzymes with alkylated DNA bases. In particular, we investigate the aliphatic hydroxylation and C=C epoxidation mechanisms of alkylated DNA bases by a high-valent iron(IV)-oxo intermediate. Our computational studies use quantum mechanics/mol. mechanics methods on full enzymic structures as well as cluster models on active site systems. The work shows that the iron(IV)-oxo species is rapidly formed after dioxygen binding to an iron(IV) center and passes a bicyclic ring structure as intermediate. Subsequent cluster models explore the mechanism of substrate hydroxylation and epoxidation of alkylated DNA bases. The work shows low energy barriers for substrate activation and consequently energetically feasible pathways are predicted. Overall, the work shows that a high-valent iron(IV)-oxo species can efficiently dealkylate alkylated DNA bases and return them into their original form. The experimental process involved the reaction of Imidazo[1,2-c]pyrimidin-5(6H)-one(cas: 55662-66-3).HPLC of Formula: 55662-66-3
The Article related to human dioxygenase alkb dna base repair mechanism epoxidation hydroxylation, Enzymes: Structure-Conformation-Active Site and other aspects.HPLC of Formula: 55662-66-3
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem