Published in
Royal Society of Chemistry, RSC Advances, 61(6), p. 56562-56570, 2016
DOI: 10.1039/c6ra10121f
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A quantum chemistry investigation of a potential inhibitory drug against the dengue virus
Journal article published in 2016 by
G. S. Ourique,
J. F. Vianna,
J. X. Lima Neto 
,
J. I. N. Oliveira,
P. W. Mauriz,
M. S. Vasconcelos,
E. W. S. Caetano,
V. N. Freire,
E. L. Albuquerque,
U. L. Fulco
,
J. I. N. Oliveira,
P. W. Mauriz,
M. S. Vasconcelos,
E. W. S. Caetano,
V. N. Freire,
E. L. Albuquerque,
U. L. Fulco
This paper is made freely available by the publisher.
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Abstract
The total interaction energy of the inhibitor Bz-nKRR-H bound to a serine protease of the dengue virus is mainly due to the action of Asn152, Met49, Tyr161, Asp129 and Gly151 (Met84, Met75, Asp81, Asp79 and Asp80) residues at the NS3 (NS2B) subunit.