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Articles

Selectivity of Bedaquiline reacting with different polypeptide chains. Theoretical approach

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Pages 398-407 | Received 31 Jul 2019, Accepted 30 Dec 2019, Published online: 17 Jan 2020

References

  • Centers for Disease Control and Prevention. Provisional CDC guidelines for the use and safety monitoring of Bedaquiline Fumarate (Sirturo) for the treatment of multidrug-resistant tuberculosis. MMWR 2013; 62 (No. 9 RR 1-11).
  • World Health Organization. Global tuberculosis report 2018 [cited 2019 Feb 19]. Available from: https://apps.who.int/iris/bitstream/handle/10665/274453/9789241565646-eng.pdf.
  • Huitric E, Verhasselt P, Koul A, et al. Rates and mechanisms of resistance development in Mycobacterium tuberculosis to a novel diarylquinoline ATP synthase inhibitor. Antimicrob Agents Chemoter. 2010;54:1022–1028. doi: 10.1128/AAC.01611-09
  • Marylee VW, Sandy JE. Bedaquiline: A Novel antitubercular agent for the treatment of Multidrug-resistant tuberculosis. Pharmacother: J Hum Pharmacol Drug Therapy. 2014;11:1187–1197.
  • Matteelli A, Carvahlo AC, Dooley KE, et al. TMC207: the first compound of a new class of potent anti-tuberculosis drugs. Future Microbiol. 2010;5:849–858. doi: 10.2217/fmb.10.50
  • Sirturo (Bedaquiline) [Package insert]. Titusville , NJ: Janssen Therapeutics; 2012.
  • Koul A, Vrankx L, Dendouga N, et al. Diarylquinolines are bactericidal for dormant mycobacteria as a result of disturbed ATP homeostasis. J Biol Chem. 2008;283:25273–25280. doi: 10.1074/jbc.M803899200
  • Becke AD. Density-functional exchange-energy approximation with correct asymptotic behaviour. Phys Rev A. 1988;38:3098–3100. doi: 10.1103/PhysRevA.38.3098
  • Perdew JP, Wang Y. Accurate and simple analytic representation of the electron-gas correlation energy. Phys Rev B. 1992;45:13244–13249. doi: 10.1103/PhysRevB.45.13244
  • Frisch MJ, Trucks GW, Schlegel HB, et al. 2016. Gaussian 16, Revision C.01.
  • Zhao Y, Lynch BJ, Truhlar DG. Development and assessment of a new hybrid density functional model for thermochemical kinetics. J Phys Chem A. 2004;108:2715–2719. doi: 10.1021/jp049908s
  • Car R, Parrinello M. Unified approach for molecular dynamics and density-functional theory. Phys Rev Lett. 1985;55:2471–2474. doi: 10.1103/PhysRevLett.55.2471
  • dos Santos MVP, Teixeira ES, Longo RL. A direct dynamics study of protonated alcohol dehydration and the Diels-Alder reaction. J Braz Chem Soc. 2009;20:652–662. doi: 10.1590/S0103-50532009000400009
  • Marylee VW, Sandy JE. Bedaquiline: a novel antitubercular agent for the treatment of multidrug-resistant tuberculosis. Pharmacother: J Hum Pharmacol Drug Therapy. 2014;34:1187–1197),. doi: 10.1002/phar.1482
  • Haagsma AC, Podasca I, Koul A, et al. Probing the interactions of the diarylquinoline TMC207 with its target mycobacterial ATP synthase. PLOS ONE. 2011;6:e23575. doi: 10.1371/journal.pone.0023575
  • Meher JK, Dash GN, Meher PK, et al. A reduced computational load protein coding predictor using equivalent amino acid sequence of DNA string with period-3 based time and frequency domain analysis. Am J Mol Biol. 2011;01:79–86. doi: 10.4236/ajmb.2011.12010
  • Biju V. Chemical modifications and bioconjugate reactions of nanomaterials for sensing, imaging,drug delivery and therapy. Chem Soc Rev. 2014;43:744–764. doi: 10.1039/C3CS60273G
  • Evstigneev MP, Buchelnikov AS, Voronin DP, et al. Complexation of C60 Fullerene with aromatic drugs. ChemPhysChem. 2013;14:568–578. doi: 10.1002/cphc.201200938
  • Shityakov S, & Förster C. Multidrug resistance protein P-gp interaction with nanoparticles (fullerenes and carbon nanotube) to assess their drug delivery potential: a theoretical molecular docking study. Int J Comput Biol Drug Design. 2013;6:343–357. doi: 10.1504/IJCBDD.2013.056801

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