Molecular modeling toward selective inhibitors of dihydrofolate reductase from the biological warfare agent Bacillus anthracis

Giacoppo, Juliana O. S.; Mancini, Daiana T.; Guimarães, Ana P.; Gonçalves, Arlan S.; Cunha, Elaine F. F. da; França, Tanos C. C.; Ramalho, Teodorico C.

Use este identificador para citar ou linkar para este item: http://repositorio.ufla.br/jspui/handle/1/28500

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Campo DC	Valor	Idioma
dc.creator	Giacoppo, Juliana O. S.	-
dc.creator	Mancini, Daiana T.	-
dc.creator	Guimarães, Ana P.	-
dc.creator	Gonçalves, Arlan S.	-
dc.creator	Cunha, Elaine F. F. da	-
dc.creator	França, Tanos C. C.	-
dc.creator	Ramalho, Teodorico C.	-
dc.date.accessioned	2018-01-26T16:20:39Z	-
dc.date.available	2018-01-26T16:20:39Z	-
dc.date.issued	2015-02-16	-
dc.identifier.citation	GIACOPPO, J. O. S. et al. Molecular modeling toward selective inhibitors of dihydrofolate reductase from the biological warfare agent Bacillus anthracis. European Journal of Medicinal Chemistry, Paris, v. 91, p. 63-71, 16 Feb. 2015.	pt_BR
dc.identifier.uri	https://www.sciencedirect.com/science/article/pii/S0223523414005443?via%3Dihub#!	pt_BR
dc.identifier.uri	http://repositorio.ufla.br/jspui/handle/1/28500	-
dc.description.abstract	In the present work, we applied docking and molecular dynamics techniques to study 11 compounds inside the enzymes dihydrofolate reductase (DHFR) from the biological warfare agent Bacillus anthracis (BaDHFR) and Homo sapiens sapiens (HssDHFR). Six of these compounds were selected for a study with the mutant BaF96IDHFR. Our results corroborated with experimental data and allowed the proposition of a new molecule with potential activity and better selectivity for BaDHFR.	pt_BR
dc.language	en_US	pt_BR
dc.publisher	Elsevier	pt_BR
dc.rights	restrictAccess	pt_BR
dc.source	European Journal of Medicinal Chemistry	pt_BR
dc.subject	Bacillus anthracis	pt_BR
dc.subject	Molecular dynamics	pt_BR
dc.subject	Biological warfare	pt_BR
dc.subject	Dihydrofolate reductase - Inhibitors	pt_BR
dc.subject	Dinâmica molecular	pt_BR
dc.subject	Guerra biológica	pt_BR
dc.subject	Dihidrofolato redutase - Inibidores	pt_BR
dc.title	Molecular modeling toward selective inhibitors of dihydrofolate reductase from the biological warfare agent Bacillus anthracis	pt_BR
dc.type	Artigo	pt_BR
Aparece nas coleções:	DQI - Artigos publicados em periódicos

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