Insights into cytochrome bc1 complex binding mode of antimalarial 2-hydroxy-1,4-naphthoquinones through molecular modelling

Insights into cytochrome bc1 complex binding mode of antimalarial 2-hydroxy-1,4-naphthoquinones through molecular modelling

BACKGROUND Malaria persists as a major public health problem. Atovaquone is a drug that inhibits the respiratory chain of Plasmodium falciparum, but with serious limitations like known resistance, low bioavailability and high plasma protein binding. OBJECTIVES The aim of this work was to perform m...

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Bibliographic Details
Main Authors: Ana Carolina Rennó Sodero, Bárbara Abrahim-Vieira, Pedro Henrique Monteiro Torres, Pedro Geraldo Pascutti, Célia RS Garcia, Vitor Francisco Ferreira, David Rodrigues da Rocha, Sabrina Baptista Ferreira, Floriano Paes Silva Jr
Format: Article
Language:English
Published: Instituto Oswaldo Cruz, Ministério da Saúde
Series:Memórias do Instituto Oswaldo Cruz.
Subjects:
atovaquone
Plasmodium falciparum
molecular docking
surflex-dock
AutoDock4.2
Online Access:http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0074-02762017000400299&lng=en&tlng=en

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http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0074-02762017000400299&lng=en&tlng=en

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