High-throughput virtual screening, ADME analysis, and estimation of MM/GBSA binding-free energies of azoles as potential inhibitors of Mycobacterium tuberculosis H37Rv
| Autor: | Parthasarathy Tigulla, Suresh Gangadhari, Manoj Kumar Palnati, Madhavi Madhavaram, Venkatesh Nampally |
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| Rok vydání: | 2019 |
| Předmět: |
0301 basic medicine
Virtual screening biology Chemistry In silico Cell Biology Computational biology bacterial infections and mycoses biology.organism_classification Biochemistry Mycobacterium tuberculosis 03 medical and health sciences 030104 developmental biology 0302 clinical medicine 030220 oncology & carcinogenesis Mycobacterium tuberculosis H37Rv Free energies Molecular Biology Throughput (business) ADME |
| Zdroj: | Journal of Receptors and Signal Transduction. 39:312-320 |
| ISSN: | 1532-4281 1079-9893 |
| DOI: | 10.1080/10799893.2019.1660895 |
| Popis: | Isoniazid, also known as isonicotinyl hydrazide (INH), was used as a frontline drug to treat Mycobacterium tuberculosis. The in silico virtual screening is used to identify the effective in... |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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