Docking and molecular dynamic study of isoniazid derivatives as anti-tuberculosis drug candidate

Richa Mardianingrum, Sri Rezeki Nur Endah, Eddy Suhardiana, Ruswanto Ruswanto, Siswandono Siswandono

Research output: Contribution to journalArticlepeer-review

15 Citations (Scopus)

Abstract

In this research, we have designed four isoniazid derivatives, i.e., isonicotinohydrazide (1-isonicotinoyl semicarbazide, 1-thiosemi isonicotinoyl carbazide, N '-(1, 3-dimethyl-1 h-pyrazole-5-carbonyl) isonicotino hydrazide, and N '-(1,2,3- 4-thiadiazole-carbonyl) isonicotinohydrazide. The docking and molecular dynamic have performed to them to study its interaction with Mycobacterium tuberculosis Enoyl-Acyl Carrier Protein Reductase (InhA).

Original languageEnglish
Article number100647
JournalChemical Data Collections
Volume32
DOIs
Publication statusPublished - Apr 2021

Keywords

  • Anti-tuberculosis
  • Docking
  • Inhibin Alpha Subunit (InhA) inhibition
  • isonicotinohydrazide

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