Conformational analysis of r207910, a new drug candidate for the treatment of tuberculosis, by a combined NMR and molecular modeling approach.

@article{Gaurrand2006ConformationalAO,
  title={Conformational analysis of r207910, a new drug candidate for the treatment of tuberculosis, by a combined NMR and molecular modeling approach.},
  author={Sandrine Gaurrand and St{\'e}phanie Desjardins and Christophe Meyer and Pascal Bonnet and Jean-Michel Argoullon and Hassan Oulyadi and J{\'e}r{\^o}me E. G. Guillemont},
  journal={Chemical biology & drug design},
  year={2006},
  volume={68 2},
  pages={77-84}
}
R207910 is an enantiomeric compound from a new class of antimycobacterial agents, the diarylquinolines [Science; 307:223 (2005)]. As enantiospecific interaction is required for biologic activity, we have undertaken a combined nuclear magnetic resonance and molecular modeling study to gain new insights into its conformation in solution and its absolute configuration. A conformational analysis using a Monte-Carlo method has been performed on each of the four possible stereomers of this compound… CONTINUE READING

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