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Optimizing Bedaquiline for cardiotoxicity by structure based virtual screening, DFT analysis and molecular dynamic simulation studies to identify selective MDR-TB inhibitors.

Iqrar AhmadHarsha JadhavYashodeep ShindeVilas JagtapRukaiyya GiraseHarun M Patel
Published in: In silico pharmacology (2021)
The online version contains supplementary material available at 10.1007/s40203-021-00086-x.
Keyphrases
  • multidrug resistant
  • drug resistant
  • mycobacterium tuberculosis
  • density functional theory
  • molecular docking
  • single molecule
  • healthcare
  • psychometric properties
  • crystal structure
  • transition metal