Azole inhibitors of cytochrome P450 51A (Mycobacterium tuberculosis): modelling of complexes and prediction of binding properties

   
Skvortsov V.S.1 , Karuzina I.I.1, Ivanov A.S.1, Archakov A.I.1

1. V.N. Orekhovich Institute of Biomedical Chemistry of Russian Academy of Medical Sciences
Section: Experimental/Clinical Study
Year: 2004
This paper deals with design of valuation function, which could be used for search and creation of azole inhibitors having affinity with Р450 51A cytochrome (Mycobacterium tuberculosis). The paper is very urgent, due to opportunity of using such compounds as antituberculous drugs. A set of regression equations, for prediction of spectral binding constant are considered. Several of predictions were experimentally tested
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Skvortsov, V. S., Karuzina, I. I., Ivanov, A. S., Archakov, A. I. (2004). Azole inhibitors of cytochrome P450 51A (Mycobacterium tuberculosis): modelling of complexes and prediction of binding properties. Biomeditsinskaya khimiya, 50(application 1), 32-37.
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