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"Inflamasi yang tidak terkontrol menjadi penyebab kematian yang signifikan di seluruh dunia dan merupakan faktor penting dalam kasus COVID-19 yang parah. EmponEmpon (EE), merupakan jamu tradisional Indonesia secara empiris diyakini mampu menyembuhkan COVID-19 yang parah. Namun, mekanisme kerja senyawa utama dalam mengobati keparahan COVID-19 masih belum jelas. Penelitian ini bertujuan mengidentifikasi senyawa utama EE dan mekanisme molekulernya dalam mengendalikan inflamasi pada COVID-19. Senyawa EE diidentifikasi menggunakan KNApSAcK, protein/target yang terhubung senyawa dikumpulkan menggunakan database: ChemBL, GeneCard, dan Traditional Chinese Medicine Systems Pharmacology (TCMSP), sedangkan target terhubung penyakit dikumpulkan menggunakan GeneCard database. Analisis protein-protein interaction (PPI) dibangun menggunakan String, analisis Gene Ontology (GO) dan Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment menggunakan ShinyGO 0.8. Jaringan interaksi senyawa-target-pathway divisualisasikan dan dianalisis menggunakan Cytoscape 3.10. Analisis penambatan molekul menggunakan PyRx 0.98 serta analisis molecular dynamics simulation (MD) menggunakan NAMD. Diperoleh sebanyak 336 senyawa dalam EE, 28 senyawa diantaranya memenuhi kriteria penyaringan berdasarkan bobot molekul (BM): 200-500 dalton, Oral bioavailability (OB) ≥ 30%, drug-likeness (DL) ≥ 0.18, tidak menghambat CYP2D6 di hati, toksisitas ≥ III. sebanyak 578 target EE diidentifikasi terlibat dalam inflamasi dan COVID-19. Analisis GO dan KEGG mengungkap bahwa aksi farmakologi EE melalui berbagai jalur, termasuk jalur kanker, lipid dan aterosklerosis, serta COVID-19. Analisis PPI diperoleh sebanyak 6 target yang memainkan peran essensial dalam mengendalikan inflamasi dan mengobati COVID-19, yaitu: MAPK3, EGFR, AKT1, PTGS2, TNF dan IL-6. Analisis penambatan molekul menunjukkan bahwa α-amyrin, Biochanin-A, Delphinidin, Sesamin, Isorhamnetin, Guaiacin, dan Ellagic acid adalah senyawa yang mampu terikat kuat pada MAPK3, EGFR, AKT1, PTGS2, TNF dan IL-6; hasil ini diperkuat oleh analisis MD yang mengkonfirmasi bahwa interaksi antara senyawa dengan kompleks target esensialnya stabil. Temuan ini memberikan landasan teoritis mekanisme EE dalam mengendalikan inflamasi pada COVID-19, yang dapat digunakan untuk mengembangkan jamu berbasis EE

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Uncontrolled inflammation is a significant cause of death worldwide and is an essential factor in severe cases of COVID-19. Empon-Empon (EE), a traditional Indonesian herbal medicine, is empirically believed to be able to cure severe COVID-19. However, the mechanism of action of the main compound in treating the severity of COVID-19 is still unclear. This study aims to identify the main compounds of EE and their molecular mechanisms in controlling inflammation in COVID-19. EE compounds were identified using KNApSAcK, and compound-related proteins/targets were collected using ChemBL, GeneCard, and Traditional Chinese Medicine Systems Pharmacology (TCMSP) databases. In a while, disease-linked targets were collected using the GeneCard database. Protein-protein interaction (PPI) analysis was built using String, Gene Ontology (GO) analysis, and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment using ShinyGO 0.8. The compound-target-pathway interaction network was visualized and analyzed using Cytoscape 3.10. Molecular docking analysis using PyRx 0.98 and molecular dynamics simulation (MD) analysis using NAMD. A total of 336 compounds were obtained in EE, 28 of which met the screening criteria based on molecular weight (BM): 200-500 daltons, Oral bioavailability (OB) ≥ 30%, drug-likeness (DL) ≥ 0.18, does not inhibit CYP2D6 in the liver, toxicity ≥ III. A total of 578 EE targets were identified as being involved in inflammation and COVID-19. GO and KEGG analyses revealed the pharmacological actions of EE through various pathways, including cancer, lipid and atherosclerosis, and COVID-19 pathways. PPI analysis revealed six essential targets in controlling inflammation and treating COVID19, namely MAPK3, EGFR, AKT1, PTGS2, TNF, and IL-6. Molecular docking analysis showed that α-amyrin, Biochanin-A, Delphinidin, Sesamin, Isorhamnetin, Guaiacin, and Ellagic acid were compounds that were able to bind strongly to MAPK3, EGFR, AKT1, PTGS2, TNF, and IL-6; these results were confirmed by MD analysis which confirmed that the interaction between the compound and its essential target complex was stable. These findings provide a theoretical basis for the mechanism of EE in controlling inflammation in COVID-19, which can be used to develop EE-based herbal medicine."

"ABSTRAKDengan adanya 230 juta penduduk di Indonesia yang masih banyak darinya tinggal di daerah dimana nyamuk anopheles merupakan spesies endemik di area tersebut, malaria masih merupakan sebuah masalah yang terus berkembang di Indonesia. Resistensi dari obat yang sering dipakai juga merupakan masalah yang terus bermunculan di Indonesia. Sambiloto dan spirulina adalah tanaman obat yang sudah sangat sering dipakai dan di teliti baik di kalangan umum dan kesehatan. Riset ini dilakukan untuk mengatahui efikasi dan efek dari kombinasi terapi Sambiloto dan Spirulina kepada gambaran histopatologis dari kolon proximal mencit yang di infeksi Plasmodium berghei anka. Data yang didapat dari ekperimen klinik dilakukan pada mencit Swiss Webster jenis kelamin jantan yang sudah diinfeksi p. berghei anka dan diberikan 4 jenis terapi yang berbeda. Hasil yang didapat dari percobaan dan analisis data menggunakan ANOVA dan Kruskall ndash; Wallis menunjukan penurunan jumlah sel inflamasi pada tikus yang diberikan tambahan spirulina pada terapinya mengkonfirmasi bahwa sambiloto dan spirulina baik bila digunakan bersamaan. Meskipun demikian, hubungan antara terapi sambiloto spirulina terhadap displasia, angiogenesis, dan jumlah sel goblet belum dapat ditemukan. Properti anti inflammatory yang dimiliki oleh sambiloto dan spirulina diperoleh dari zat zat aktif yang terkandung didalamnya sepert flavonoids, beta carotene, dan fikosianin, yang menyebabkan penurunan dari jumlah sel inflamasi yang ada di kolon mencit. Dysplasia dan angiogenesis membutuhkan tingkat inflamasi yang tinggi dan durasi yang kronis. Hal ini menyebabkan tidak optimalnya kondisi untuk dapat mengatami hubungan antara terapi dan variable-variable tersebut.

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ABSTRACTWith 230 million people in Indonesia still being exposed to anopheles mosquito, malaria is still a very persistent problem in Indonesia. Besides of the ongoing spreading of mosquito problem, resistance to effective anti malarial drug is also becoming more and more common. Sambiloto and Spirulina has been both long used and studied inside the community and research areas. Both plants has a mechanism of anti inflammatory which can help during the infection of malaria. This research is conducted to observe the effect and efficacy of the combination therapy of Sambiloto and Spirulina against histopathological changes which can be observed in the colon of infected mice. Data is obtained from clinical experiment on Male Swiss Webster mice which has been infected with plasmodium berghei anka and treated with 4 different type of treatment. AP group is treated using sambiloto extract, AP PS group is treated using Sambiloto extract added with powder spirulina, AP ES group is treated using Sambiloto extract added with Spirulina extract, and DHP group act as the control group and is treated using DHP. The Results from statistical analysis using ANOVA and Kruskal ndash Wallis shows that the addition of spirulina to sambiloto reduce the amount of infalmmatory cell found in the proximal colon greatly and Is comparable to the result gain from treating the mice with DHP. Although so, the connection between the treatment and dysplasia, angiogenesis, and goblet cell count cannot be determined by this research and needs further researches to confirm. The anti inflammatory behaviour exhibited by sambiloto and spirulina is obtained from the active components such as flavanoids, beta carotene, and phycocyanin and is the main contributor on the results of this research. Dysplasia, and angiogenesis needs a great amount of inflammatory cell number and duration to develop, thus might be the reason why the information on dysplasia and angiogenesis cannot be obtained optimally."