Update Artikelilmiah: 52193

KHAIRINA RAHMANIA PRAYOGA PUTRI

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Abstrak (Bhs. Indonesia)

Inflamasi merupakan respon imun terhadap rangsangan berbahaya seperti patogen dan toksin yang dapat memicu penyakit degeneratif. Terapi inflamasi umumnya melibatkan obat antiinflamasi steroid dan nonsteroid. Penggunaan bahan alam dengan aktivitas antiinflamasi kini berkembang sebagai terapi komplementer yang berpotensi mendukung efektivitas pengobatan konvensional. Rimpang Zingiber. ottensii mengandung senyawa bioaktif seperti flavonoid, terpenoid, dan fenolik yang diketahui memiliki aktivitas antiinflamasi. Penelitian ini bertujuan mengevaluasi potensi senyawa aktif rimpang Z. ottensii terhadap protein proinflamasi secara in silico melalui analisis ADMET, prediksi target, dan molecular docking. Delapan senyawa memenuhi parameter ADMET, yaitu α-terpineol, trans sabinene hydrate, elemol, β-eudesmol, 1-terpineol, terpinen-4-ol, γ eudesmol, dan 7-epi-α-eudesmol. Senyawa tersebut berinteraksi dengan protein target proinflamasi meliputi EGFR, HIF1A, ESR1, MAPK1, PTGS2, PGR, RELA, PPARG, MAPK3, dan MAPK8. Hasil menunjukkan β-eudesmol, γ-eudesmol, dan elemol memiliki afinitas pengikatan terbaik, dengan nilai energi ikatan masing-masing sebesar -8,4 kkal/mol (MAPK1), -
7,7 kkal/mol (MAPK8), dan -7,1 kkal/mol (HIF1A), yang lebih rendah dibandingkan kontrol positif. Interaksi yang terbentuk berupa ikatan hidrogen dan interaksi hidrofobik yang meningkatkan stabilitas kompleks. Senyawa tersebut berpotensi sebagai agen antiinflamasi dengan β-eudesmol,
γ-eudesmol, dan elemol sebagai kandidat utama.

Abtrak (Bhs. Inggris)

Inflammation is an immune response to harmful stimuli such as pathogens and toxins that can trigger degenerative diseases. Anti-inflammatory therapy generally involves steroidal and nonsteroidal drugs. The use of natural products with anti-inflammatory activity has increasingly developed as a complementary therapy with the potential to enhance the effectiveness of conventional treatments. The rhizome of Zingiber ottensii contains bioactive compounds such as flavonoids, terpenoids, and phenolics, which are known to exhibit anti-inflammatory activity.This study aimed to evaluate the potential of active compounds from Z. ottensii rhizome against proinflammatory target proteins using an in silico approach, including ADMET analysis, target prediction, and molecular docking. Eight compounds met the ADMET criteria, namely α-terpineol, trans sabinene hydrate, elemol, β-eudesmol, 1-terpineol, terpinen-4-ol, γ-eudesmol, and 7-epi-α-eudesmol. These compounds interacted with pro-inflammatory target proteins, including EGFR, HIF1A, ESR1, MAPK1, PTGS2, PGR, RELA, PPARG, MAPK3, and MAPK8. The results showed that β-eudesmol, γ-eudesmol, and elemol exhibited the best binding affinities, with binding energies of -8.4 kcal/mol (MAPK1), -7.7 kcal/mol (MAPK8), and -7.1 kcal/mol (HIF1A), respectively, which were lower than those of the positive controls. The interactions involved hydrogen bonds and hydrophobic interactions, contributing to the stability of the ligand–protein complexes. These findings suggest that the active compounds of Z. ottensii rhizome have potential as
anti-inflammatory agents, with β-eudesmol, γ-eudesmol, and elemol identified as the most promising candidates.

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