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All Journal HAYATI Journal of Biosciences ACTA VETERINARIA INDONESIANA Jurnal Sain Veteriner Jurnal Ilmiah Farmasi Jurnal Veteriner Jurnal Tumbuhan Obat Indonesia Journal of the Medical Sciences (Berkala Ilmu Kedokteran) Pharmaciana: Jurnal Kefarmasian Media Farmasi : Jurnal Ilmu Farmasi (Journal Of Pharmaceutical Science) Indonesian Journal of Biotechnology Jurnal Ilmu Farmasi dan Farmasi Klinik (Journal of Pharmaceutical Science and Clinical Pharmacy) Jurnal Kedokteran Biomedika Majalah Obat Tradisional INDONESIAN JOURNAL OF PHARMACY Pharmascience Indonesian Journal of Chemical Science Jurnal Farmasi Sains dan Komunitas Indonesian Journal of Chemistry Jurnal Medik Veteriner JSFK (Jurnal Sains Farmasi & Klinis) Jurnal Ilmu Kefarmasian Indonesia JURNAL KAJIAN VETERINER Journal of Fundamental and Applied Pharmaceutical Science Khazanah: Jurnal Mahasiswa JKKI : Jurnal Kedokteran dan Kesehatan Indonesia Jurnal Kedokteran Hewan Jurnal Kefarmasian Indonesia Journal of Tropical Pharmacy and Chemistry Jurnal Sains dan Kesehatan
Sitarina Widyarini
Departemen Patologi, Fakultas Kedokteran Hewan, Universitas Gadjah Mada, Yogyakarta
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Journal : Pharmascience

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Integrated LC-HRMS Analysis, Network Pharmacology, and Molecular Docking to Predict the Potential of Syzygium polyanthum in Alleviating Rheumatoid Arthritis Nurlely, Nurlely; Nurrochmad, Arief; Fakhrudin, Nanang; Widyarini, Sitarina
Jurnal Pharmascience Vol 12, No 2 (2025): Jurnal Pharmascience
Publisher : Program Studi Farmasi FMIPA Universitas Lambung Mangkurat

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20527/jps.v12i2.23762

Abstract

Rheumatoid arthritis (RA) adalah penyakit autoimun kronis dengan hasil terapi yang terbatas dan efek samping yang signifikan terkait dengan pengobatan saat ini. Studi ini menggunakan LC–HRMS, farmakologi jaringan, dan docking molekuler untuk menganalisa senyawa bioaktif dan mekanisme dasar Syzygium polyanthum sebagai terapi komplementer potensial untuk RA. Ekstrak diperoleh dengan metode maserasi menggunakan etanol 90% selama 2x24 jam  Profiling metabolit menggunakan LC–HRMS mengidentifikasi tujuh senyawa kandidat dengan kelimpahan relatif lebih dari 1%, di mana 2,6-dimethylquinoline memiliki kelimpahan paling tinggi (5,77%). Farmakologi jaringan mengungkapkan 121 target tumpang tindih antara target RA dan senyawa-senyawa ini, dengan PTGS2 dan MAPK14 dipilih untuk docking molekuler terhadap tiga ligan representatif: 2,6-dimethylquinoline, 6-methylquinoline, dan myricetin. Myricetin menunjukkan afinitas ikatan terkuat terhadap PTGS2 dan MAPK14, dengan energi ikatan masing-masing –8,915 dan –7,849 kcal/mol. Studi menemukan bahwa ekstrak etanol S. polyanthum (EESP) memiliki potensi terapeutik untuk mengurangi inflamasi pada RA. Kata Kunci: Daun Salam, Inflamasi, Penyakit Autoimun, Siklooksigenase 2, Hasil Terapi  Abstract Rheumatoid arthritis (RA) is a chronic autoimmune disease with limited therapeutic outcomes and considerable adverse effects associated with current treatments. This study employed LC–HRMS, network pharmacology, and molecular docking to investigate the bioactive compounds and underlying mechanisms of Syzygium polyanthum as a potential complementary therapy for RA. The extract was obtained by maceration using 90% ethanol for 2x24 hours. Metabolite profiling by LC–HRMS identified seven candidate compounds with relative abundance greater than 1%, of which 2,6-dimethylquinoline was the most abundant (5.77%). Network pharmacology revealed 121 overlapping targets between RA and these compounds, with PTGS2 and MAPK14 selected for molecular docking against three representative ligands: 2,6-dimethylquinoline, 6-methylquinoline, and myricetin. Myricetin exhibited the strongest binding affinity to PTGS2 and MAPK14, with binding energies of –8.915 and –7.849 kcal/mol, respectively. These findings suggest that S. polyanthum ethanol extract (EESP) possesses therapeutic potential in attenuating RA-related inflammation.
Co-Authors . Harjadi . Muttaqien Abd. Rasyid Syamsuri Abdul Rohman Achmad Mursyidi Achmad Mursyidi Adrenalin, Sruti Listra Agnes Nora Iska Harnita Agnesia Endang Tri Hastuti Wahyuni Agung Endro Nugroho Agung Giri Samudra Agustina Dwi Wijayanti AGUSTINUS YUSWANTO Ahmad Mursyidi Ahmadi, Maulidina Alfarisa Nurrurozi Alfarisa Nururrozi Alfarisa Nururrozi Alfarisa Nururrozi Alfarisa Nururrozi Ana Sahara Anandita Nurwijayanti Andayana Puspitasari Gani Anna Ekawati Apriani, Lalily Arief Nurrochmad Asmarani Kusumawati Bambang Sutrisno Bambang Sutrisno Bambang Sutrisno Bambang Sutrisno Bambang Sutrisno Bambang Sutrisno Bambang Sutrisno Bambang Sutrisno Charles Rangga Tabbu Charles Rangga Tabbu Charles Rangga Tabbu Charles Rangga Tabbu Charles Rangga Tabbu Claude Mona Airin Deasy Wulan Dwiratna Devi Usdiana Rosyidah Devita Anggraeni Dewajani Purnomosari Dewajani Purnomosari Dhasia Ramandani, Dhasia Dhirgo Adji Dimas Adhi Pradana Dwi Priyowidodo Edy Meiyanto Eka Kumalasari Endang Dwi Wulansari Erma Yunita Erwin . Erwin E Eryl Sri Rohayati Eti Nurwening Sholikhah Etriwati E Fajar Slamet Riana Fara Azzahra Fara Azzahra FARIDA HAYATI Fauziah, Ima Frans J.M. Harren Galih Dwi Mulyati Gede Bayu Suparta Gemini Alam Gemini Alam Geovani Meryza Oka Putra Caesar Gharsina Ghaisani Yumni Hady Anshory Hardian, Andreas Bandang Harjadi Harjadi Hary Purnamaningsih Hary Purnamaningsih Hastari Wuryastuty Hayati, Farida Helmina Wati Hizriah Alief Jainudin Ign Edi Santosa Ika Tidariani Imanjati, Lynda Nugrahaning Indwiani Astuti Indwiani Astuti Irianiwati Irianiwati Irianiwati Widodo Iwan Sahrial Hamid Joko Prastowo Jumina Jumina Kintoko, Kintoko Kony Putriani Kurniasih . Kurniasih Kurniasih Kurniasih Kurniasih Laela Hayu Nurani Laela Hayu Nurani Laela Hayu Nurani Laela Hayu Nurani Laksono Trisnantoro Lalily Apriani Laras Widawaty Putri Lintang Cahya Saputri Lukman Hakim Lukman Hakim Lukman Hakim Marchaban Marchaban Mega Cahya Nalasukma Michael Haryadi Wibowo Milla, Yunita Apriana Mustofa Mustofa Mustofa Mustofa Muttaqien M Nanang Fakhrudin, Nanang Nemay Anggadewi Ndaong Neni Tri Anggraini Ngatidjan Ngatidjan Ni'ma, Neli Syahida Nina Salamah Noor Ardhi Pratomo Novrita Padauleng Novrita Padauleng Nugrahani, Warih Pulung Nura Ustrina Nurlely Nurlely Nurman Haribowo Permana, Rief Ghulam Satriya Pramono, Suwidjiyo Puspa Wikan Sari R Wasito R Wasito Rahmawati, Irhamna Putri Ramadhani, Mungky Ema Ranita Tri Budi M Rifqi Ferry Balfas Rini Widayanti Risfah Yulianty Risfah Yulianty Risfah Yulianty Riska Nufika Riska Nufika Riska Nufika Rose, Zita Xena Xaviera Ruslin Hadanu Rusmihayati Rusmihayati Santika, Luh Putu Nadya Santoso, Ferdinand Prayogo Cahyo Sardjiman S Sardjiman S Siti Salma Yusuf Slamet Raharjo Slamet Raharjo Slamet Raharjo Soedarmanto Indarjulianto Soedarmanto Indarjulianto Soedarmanto Indarjulianto Sri Herwiyanti Sri Herwiyanti, Sri Subagus Wahyuono Subagus Wahyuono Sudarsono Sudarsono Sudibyo Martono Sugiyanto - Sugiyanto . Sugiyanto Sugiyanto Sugiyanto Sugiyanto Sugiyanto, Sugiyanto Sugiyono Sugiyono Sugiyono Sugiyono Sugiyono Sugiyono Sugiyono Sultan Suhrah Febrina Karim Suwidjiyo Pramono Suwidjiyo Pramono Suwidjiyo Pramono Suwidjiyo Pramono Tiaravista, Amanda Gita Tri Untari Tri Untari Tri Untari Tri Wahyu Pangestiningsih Tria Zakinah Vembriarto Jati Pramono Vinsa Cantya Prakasita Wahyu Widiyaningsih Wahyu Widyaningsih Wahyu Widyaningsih Widhihastuti, Endah Winarsih, Sugi Yanuartono . Yanuartono Yanuartono Yanuartono Yanuartono Yanuartono Yanuartono Yanuartono, Yanuartono yanuartono, yanuartono - Yeremia Yobelino Sitompul Yuli Purwandari Kristiangingrum Yuli Purwandari Kristianingrum Yuli Purwandari Kristianingrum, Yuli Purwandari Yunitasari, Maria Yustina Sri Hartini Yusuf, Siti Salma