| Autor: |
MASYITA, Ayu, SEPTIANA, Eris, BAYU, Asep, BUSTANUSSALAM, Bustanussalam, PANGGABEAN, Jonathan A., FIRDAYANI, Firdayani, MURNIASIH, Tutik |
| Zdroj: |
Turkish Journal of Medical Sciences; 2024, Vol. 54 Issue 6, p1399-1408, 10p |
| Abstrakt: |
Background/aim: Tuberculosis (TB) has become the world's deadliest disease. The lack of an effective therapeutic drug to treat it is one of the obstacle for doctors. Today, multidrug-resistant TB cases are increasing. Investigating these new drug should be given intensive and careful consideration. Marine invertebrates are valuable since they produce a large number of active compounds, and screening of these active compounds is very important. Materials and methods: Anti-TB screening of compounds derived from marine invertebrates was performed via the in silico method. Three-dimensional structures of pantothenate kinase (MtPanK type 1, PDB ID: 4BFT), Mycobacterium tuberculosis InhA (PDB ID: 2X23), protein kinase B (PDB ID: 5U94), and ß-ketoacyl acyl carrier protein synthase I (MtKasA, PDB ID: 2WGE) were used as the protein targeted receptors. Results: The molecular docking analysis showed that the potential candidate compounds with the lowest docking score were 19-hydroxypsammaplysin Q, 19-hydroxypsammaplysin S, psammaplysin L, and psammaplysin K dimethoxy acetal. Several compounds, such as molamide C and the manzamine group, are also potential anti-TB compounds. Conclusion: This study showed that psammaplysin groups have potential as anti-TB compounds. Further laboratory experiments should be done to confirm the in silico data. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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