Enzyme–substrate interactions in orotate-mimetic OPRT inhibitor complexes: a QM/MM analysis

Autor:	Shashi Kumar, N. N. Subrahmanyeswara Rao, K. S. S. V. Prasad Reddy, Manjusha C. Padole, Parag A. Deshpande
Rok vydání:	2023
Předmět:	General Physics and Astronomy Physical and Theoretical Chemistry
Zdroj:	Physical Chemistry Chemical Physics. 25:3472-3484
ISSN:	1463-9084 1463-9076
Popis:	QM/MM analysis of orotate-mimetic inhibitors of orotate phosphoribosyltransferase revealed 4-Hydroxy-6-methylpyridin-2(1H)-one be the best inhibitor among the tested ones for the inhibition of OPRT action.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::42f541f80a89759be5ca494bcc54a772 https://doi.org/10.1039/d2cp05406j Zobrazit plný text záznamu