In silico study of phytochemicals contained in Brucea javanica in inhibiting the InhA enzyme as antituberculosis
Journal of Public Health in Africa
| Field | Value | |
| Title | In silico study of phytochemicals contained in Brucea javanica in inhibiting the InhA enzyme as antituberculosis | |
| Creator | Sulistyowaty, Melanny I. Putra, Galih S. Ekowati, Juni Widiandani, Tri Matsunami, Katsuyoshi | |
| Description | Background: Currently Mycobacterium tuberculosis is found to be resistant to the treatment of tuberculosis with rifampin and isoniazid (INH) and often stated as multi-drug resistance (MDR). Knowledge and determination of biological properties of plant extracts is a source of drug candidates in various health fields. Therefore, natural products are important in the discovery of new drugs, especially in disease therapy, particularly for tropical dis- eases, tuberculosis. Brucea javanica, known as Buah Makasar, is found in many Asian countries including Indonesia. This plant fruit has a very bitter taste so it cannot be directly consumed and is often used as a traditional medicine to prevent some diseases, especially malaria. There has been no research on the effectiveness of Buah Makasar in tuberculosis. Objective: This study aims to identify compounds contained in Brucea javanica, namely bruceines, bruceosides and yadanzio-sides in inhibiting the InhA enzyme found in the wall of Mycobacterium tuberculosis. Methods: This in-silico study is using Molegro Virtual Docker (MVD) Ver. 5.5. We compared it to the native ligand, namely N-(4- Methylbenzoyl)-4-Benzylpiperidine (code: 4PI) and the reference drug standard, INH. Results: In-silico results show that yadanziosides found in Brucea javanica have the potential to inhibit the InhA enzyme. Bruceoside F (-190.76 Kcal/mol) has the lowest MolDock score among the 27 other compounds. It is also having lower MolDock score than the native ligand 4PI (-120.61 Kcal/mol) and INH (- 54.44 Kcal/mol). Conclusions: Brucea javanica can be considered as source of drug development for againts tuberculosis. | |
| Publisher | AOSIS | |
| Date | 2023-03-30 | |
| Identifier | 10.4081/jphia.2023.2518 | |
| Source | Journal of Public Health in Africa; Vol 14, S 1 (2023): 4th Joint Conference of UNAIR-USM, International Conference of Pharmacy and Health Sciences (ICPHS); 8 2038-9930 2038-9922 | |
| Language | eng | |
| Relation |
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https://publichealthinafrica.org/index.php/jphia/article/view/129/215
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