Elucidating Isoniazid Resistance Using Molecular Modeling

The continuing rise in tuberculosis incidence and the problem of drug resistance strains have prompted the research on new drug candidates and the mechanism of drug resistance. Molecular docking and molecular dynamics simulation (MD) were performed to study the binding of isoniazid onto the active s...

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Veröffentlicht in:	Journal of Chemical Information and Modeling 2009-01, Vol.49 (1), p.97-107
Hauptverfasser:	Wahab, Habibah A, Choong, Yee-Siew, Ibrahim, Pazilah, Sadikun, Amirin, Scior, Thomas
Format:	Artikel
Sprache:	eng
Schlagworte:	Bacterial Proteins - chemistry Bacterial Proteins - genetics Bacterial Proteins - metabolism Binding sites Catalytic Domain Drug resistance Drug Resistance, Bacterial - genetics Genes, Bacterial Hydrogen bonds Informatics Isoniazid - analogs & derivatives Isoniazid - chemistry Isoniazid - metabolism Isoniazid - pharmacology Ligands Models, Molecular Molecular structure Mutation Mycobacterium tuberculosis - drug effects Mycobacterium tuberculosis - enzymology Mycobacterium tuberculosis - genetics NAD - analogs & derivatives NAD - chemistry NAD - metabolism Oxidoreductases - chemistry Oxidoreductases - genetics Oxidoreductases - metabolism Pharmaceutical Modeling Protein Conformation Proteins Thermodynamics Tuberculosis Water - chemistry
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