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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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Autors principals: Venkatesan, Santhosh K., Dubey, Vikash Kumar
Format: Artigo
Idioma:Inglês
Publicat: The Scientific World Journal 2012
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC3322522/
https://ncbi.nlm.nih.gov/pubmed/22550471
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1100/2012/963658
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