Potensi Senyawa Turunan Xanton dari Kulit Buah Manggis (Garcinia mangostana L.) Sebagai Inhibitor Protein Mycobacterium tuberculosis: Studi In Silico

Abstract

Tuberculosis is an infectious disease caused by Mycobacterium tuberculosis infection that attacks the lungs. Tuberculosis is a dangerous disease that can cause death. In overcoming it, a safe and effective treatment is needed so that this disease can be cured. The purpose of this study was to determine the potential activity of the active compounds derived from xanthones contained in the mangosteen rind as an inhibitor of Mycobacterium tuberculosis protein with the comparison compound Isoniazid. The active compounds used in this study were α-mangostin, β-mangostin, γ-mangostin, garsinon, gartanin, and 8-deoxygartanin. This research uses the molecular docking method with Yasara, MarvinSketch, PubChem, PDB, and Plants 1.1 software. The results showed that the Gibss energy produced by each test ligand had a difference value, either lower or higher than the native ligand protein of Mycobacterium tuberculosis. Lipinski screening was done to make it easier to determine a molecule or compound based on its permeability and absorption properties. The results showed that gartanin and 8-deoxygartanin complied with Lipinski's rules. Prediction of pharmacokinetic properties and toxicity was carried out using the pkCSM website and can be concluded that gartanin and 8-deoxygartanin compounds have good pharmacokinetic properties and low toxicity.

α-Mangostin Content of Mangosteen Leaves (Garcinia mangostana L.) Based on Different Growing Conditions

“…The main elements of xanthones are α-mangostin and α-mangostin (Rena et al, 2022;Maftucha et al, 2022;Maligan et al, 2019). Thus, a flavonoid ex-amination is necessary to find out the α-mangostin compound from the sample.…”

“…Meanwhile, there are saponins, flavonoids, and steroids in extracts and fractions of mangosteen leaves Nurfiana et al, 2017). The active compounds abundant in the mangosteen plant are xanthone derivatives (Maligan et al, 2019;Maftucha et al, 2022). Xanthones have biological activity as antiinflammatory, antioxidant, antibacterial, and antimicrobial .…”

“…Xanthones are included in the class of flavonoid compounds (Kurniawan, 2020b). The main compounds of xanthones are α-mangostin and α-mangostin (Rena et al, 2022;Maftucha et al, 2022;Maligan et al, 2019). α-mangostin is a yellow amorphous crystal with a melting point of 180-182°C, giving it absorption in UV light at αmax of 215, 243, and 317 nm.…”

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“…Salah satu tahapan yang dilakukan dalam analisis senyawa obat secara in silico adalah memprediksi sifat fisikokimia menurut Lipinski Rule of Five. Aturan ini bertujuan untuk memudahkan penentuan kandidat molekul atau senyawa obat dengan mengidentifikasi sifat permeabilitas dan penyerapannya, sehingga diharapkan senyawa aktif dalam obat mampu berinteraksi dengan baik dalam tubuh (Maftucha et al, 2022) Berdasarkan hasil penelitian, dari kedua senyawa uji berpotensi memiliki daya penetrasi yang baik karena telah memenuhi kriteria yang dipersyaratkan yaitu berat molekul <500 Da. Apabila berat molekul lebih dari 500 Da, maka menyebabkan molekul atau senyawa obat tidak dapat berdifusi melintasi membran sel (Maftucha et al, 2022).…”

Analisis In Silico Senyawa Flavonoid Kayu Secang (Caesalpinia sappan L.) pada Reseptor α-Amilase Sebagai Antihiperglikemik

“…Indonesia merupakan negara dengan keanekaragaman hayati yang melimpah dan sebagian besar tanaman diantaranya dimanfaatkan sebagai obat (Maftucha et al, 2022). Tanaman secang (Caesalpinia sappan L.) merupakan salah satu tanaman herbal yang secara empiris telah digunakan untuk pengobatan DM (Sarjono dan Tukiran 2021).…”