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Footprinting of Inhibitor Interactions of In Silico Identified Inhibitors of Trypanothione Reductase of Leishmania Parasite

Structure-based virtual screening of NCI Diversity set II compounds was performed to indentify novel inhibitor scaffolds of trypanothione reductase (TR) from Leishmania infantum. The top 50 ranked hits were clustered using the AuPoSOM tool. Majority of the top-ranked compounds were Tricyclic. Cluste...

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Detalles Bibliográficos
Autores principales:	Venkatesan, Santhosh K., Dubey, Vikash Kumar
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Scientific World Journal 2012
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3322522/ https://www.ncbi.nlm.nih.gov/pubmed/22550471 http://dx.doi.org/10.1100/2012/963658

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