A computational model of the inhibition of Mycobacterium tuberculosis ATPase by a new drug candidate R207910

@article{deJonge2007ACM,
  title={A computational model of the inhibition of Mycobacterium tuberculosis ATPase by a new drug candidate R207910},
  author={Marc R de Jonge and Lucien M. H. Koymans and J{\'e}r{\^o}me Emile Georges Guillemont and Anil Koul and Koen Andries},
  journal={Proteins: Structure},
  year={2007},
  volume={67}
}
Diarylquinolines (DARQs) are a new class of potent inhibitors of the ATPase of Mycobacterium tuberculosis. We have created a homology model of a binding site for this class of compounds located on the contact area of the a‐subunit (gene atpB) and c‐subunits (gene atpE) of Mycobacterium tuberculosis ATPase. The binding pocket that was identified from the analysis of the homology model is formed by 4 helices of three c‐subunits and 2 helices of the a‐subunit. The lead compound of the DARQ series… Expand
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