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Molecular modeling and prediction of binding mode and relative binding affinity of Art-Qui-OH with P. falciparum Histo-Aspartic Protease (HAP)

The relative binding affinity in terms of ΔΔG (bind-cald) value of the antimalarial compound artemisinin-quinine hybrid is primarily derived and is discussed in this article with reference to the ΔG (bind-cald) values of two known inhibitors Pepstatin-A and KNI-10006 complexed with HAP enzyme. The Δ...

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Detalles Bibliográficos
Autores principales: Mahapatra, Rajani Kanta, Behera, Niranjan, Naik, Pradeep Kumar
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3488846/
https://www.ncbi.nlm.nih.gov/pubmed/23139593
http://dx.doi.org/10.6026/97320630008827