Antibacterial Potential of Active Compounds of Cananga Odorata Flowers Against Mycobacterium Tuberculosis
DOI:
https://doi.org/10.33474/ejbst.v10i1.566Keywords:
2FUM, Cananga odorata, In Silico, TuberculosisAbstract
Effective treatment of tuberculosis (TB) involves combination of antibiotics that are anti tuberculosis for a considerable period. TB treatment must be done routinely and appropriately to be effective and prevent drug resistance. Antibiotic resistance in TB will complicate the treatment and control of the disease. Ylang-ylang flower (Cananga odorata) has an active compound that acts as an antibacterial, so molecular docking simulations and druglikeness prediction analysis as anti-TB drug candidates were carried out. The active compound C. odorata carried out anti-TB activity through molecular docking simulation with PyRX 0.8 against PknB Mycobacterium tuberculosis protein (PDB ID 2FUM) and visualization with Biovia Discovery Studio Visualizer 2019. The active compound was also analyzed for druglikeness using SwissADME with observations of Lipinski's Rule of Five, Ghose and Veber. The results of molecular docking simulations of active compounds C. odorata has active compounds that can inhibit PknB M. tuberculosis proteins, including geranyl acetate, geraniol, and linalyl acetate. These compounds successively have a binding affinity value of -5.6, -5.3, and -5.2, which have binding affinity values close to the value of the comparison compound (Mitoxantrone), which is -7.7. The results of druglikeness analysis show that geranyl acetate and linalyl acetate compounds have the potential to be developed into oral preparations. The compounds geranyl acetate and linalyl acetate in C. odorata flowers have good potential as anti-TB therapy in oral dosage form
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Copyright (c) 2024 Dian Novita Wulandari, Nugroho Wibisono, Denis Mey Mirza
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