EFANDY MULYANSYA, NIM. C2021050012 (2025) STUDI IN SILICO POTENSI SENYAWA PADA TANAMAN GANITRI (Elaeocarpus sphaericus) SEBAGAI ANTI TUBERKULOSIS. Skripsi thesis, UNIVERSITAS MUHAMMADIYAH GOMBONG.

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Abstract

Background: Pulmonary tuberculosis (TB) is a global health problem. This disease is caused by the bacterium M. tuberculosis and is transmissible. The Global TB Report 2023 indicates that Indonesia ranks second in the world for the highest burden of TB cases. Isoniazid, one of the first-line drugs for TB, often faces resistance. The ganitri plant has potential for development as an alternative anti TB treatment. Purpose: This study aims to determine the potential of active compounds from the Centella asiatica plant as anti-TB agents by targeting protein enoyl-acyl carrier (INHA) and Dihydrofolate reductase (DHFR). Method: This study was conducted in silico using molecular docking methods to evaluate interactions between the proteins Pks13 and DHFR and test compounds, with the aid of Auto dock software. The test compounds used meet the criteria for drug-likeness, pharmacokinetics, and toxicity. Isoniazid was used as a comparator. Subsequent analysis was performed using T-Test. Results: The screening results of compounds from the ganitri plant identified three compounds meeting the criteria: asiaticin, beta-Caryophyllene, and centellin. The docking results showed binding energies for the compounds with protein 4KM2 as follows1-(2,4-Dihydroxyphenyl)-3-(4-Hydroxyphenyl)Prop-2-En-1-One -5.94 kcal/mol. For protein 2X23, the binding energies were1-(2,4-Dihydroxyphenyl)-3-(4-Hydroxyphenyl)Prop-2-En-1-One -7.30 kcal/mol. Conclusion: Based on the results, the secondary metabolite compounds of the ganitri plant that have the best potential as anti-TB are 1-(2,4-Dihydroxyphenyl)-3-(4-Hydroxyphenyl)Prop-2-En-1-One and 2X23 as TB proteins with the strongest interactions that occur in the form of hydrogen bonds. Recommendation: It is recommended to compare docking results using other software and conduct in vitro and in vivo testing.

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