TY - JOUR AU - Sulistyowaty, Melanny Ika AU - Putra, Galih Satrio AU - Ekowati, Juni AU - Widiandani, Tri AU - Matsunami, Katsuyoshi PY - 2023/03/16 Y2 - 2024/03/29 TI - In silico study of phytochemicals contained in Brucea javanica in inhibiting the InhA enzyme as antituberculosis JF - Journal of Public Health in Africa JA - J Public Health Afr VL - 14 IS - s1 SE - Original Articles DO - 10.4081/jphia.2023.2518 UR - https://www.publichealthinafrica.org/jphia/article/view/2518 SP - AB - <p><strong>Background</strong>: Currently <em>Mycobacterium tuberculosis</em> 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. <em>Brucea javanica</em>, known as <em>Buah Makasar</em>, 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 <em>Buah Makasar</em> in tuberculosis.</p><p><strong>Objective</strong>: This study aims to identify compounds contained in <em>Brucea javanica</em>, namely <em>bruceines</em>, <em>bruceosides</em> and <em>yadanzio-sides</em> in inhibiting the InhA enzyme found in the wall of Mycobacterium tuberculosis.</p><p><strong>Methods</strong>: This <em>in-silico</em> 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.</p><p><strong>Results</strong>: In-silico results show that yadanziosides found in <em>Brucea javanica</em> 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).</p><p><strong>Conclusions</strong>: Brucea javanica can be considered as source of drug development for againts tuberculosis.</p> ER -