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All Journal International Journal of Evaluation and Research in Education (IJERE) Jurnal Teknologi Industri Pertanian MANAJEMEN IKM: Jurnal Manajemen Pengembangan Industri Kecil Menengah Jurnal Rekayasa Proses Microbiology Indonesia Jurnal Pendidikan Humaniora Jurnal Penelitian Pascapanen Pertanian Buletin Teknologi Pasca Panen Journal Industrial Servicess Jurnal Riset Industri Jurnal Aplikasi Bisnis dan Manajemen (JABM) E-Journal Equilibrium: Jurnal Pendidikan Jurnal Pendidikan: Teori, Penelitian, dan Pengembangan Jurnal Penelitian Karet Science and Technology Indonesia Industria: Jurnal Teknologi dan Manajemen Agroindustri Syntax Literate: Jurnal Ilmiah Indonesia Jurnal Penjaminan Mutu Visipena Jurnal Organisasi Dan Manajemen Jurnal Pengabdian Masyarakat AbdiMas Jurnal Rekayasa Proses International Journal of Supply Chain Management Aptisi Transactions on Technopreneurship (ATT) Advances in Food Science, Sustainable Agriculture and Agroindustrial Engineering (AFSSAAE) Narra J International Journal of Social Service and Research JURNAL TEKNIK INDUSTRI Bulletin of Social Informatics Theory and Application Jurnal Rekayasa Proses International Journal of Oil Palm
Illah Sailah
Department Of Agroindustrial Technology, Faculty Of Agriculture Technology, IPB University, Bogor, 16680, Indonesia
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A network pharmacology approach to elucidate the anti-inflammatory and antioxidant effects of bitter leaf (Vernonia amygdalina Del.) Sailah, Illah; Tallei, Trina E.; Safitri, Linda; Tamala, Yulianida; Halimatushadyah, Ernie; Ekatanti, Dewi; Maulydia, Nur B.; Celik, Ismail
Narra J Vol. 4 No. 3 (2024): December 2024
Publisher : Narra Sains Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.52225/narra.v4i3.1016

Abstract

The therapeutic potential of bitter leaf (Vernonia amygdalina Del.) has been established both empirically and in various scientific investigations. However, the molecular pathways related to its possible anti-inflammatory and antioxidant properties remain unclear. Therefore, the aim of this study was to elucidate the molecular interactions between bitter leaf's bioactive compounds and cellular targets involved in these activities. The compounds in bitter leaf were identified using gas chromatography-mass spectrometry (GC-MS) analysis, and subsequently, a network pharmacology approach was employed together with molecular docking and dynamics simulations. Acetonitrile (4.5%) and dimethylamine (4.972%) were the most prevalent compounds among the 38 identified by the GC-MS analysis of bitter leaf extract. The proto-oncogene tyrosine-protein kinase (SRC) demonstrated significant connectivity within the antioxidant network, highlighting its pivotal role in facilitating inter-protein communication. It also exhibited strategic positioning in anti-inflammatory mechanisms based on closeness centrality (0.385). The enrichment analysis suggested multifaceted mechanisms of bitter leaf compounds, including transcriptional regulation and diverse cellular targeting, indicating broad antioxidant and anti-inflammatory effects. Eicosapentaenoyl ethanolamide (EPEA) displayed strong interactions with multiple proteins, including SRC (-7.17 kcal/mol) and CYP3A4 (-6.88 kcal/mol). Moreover, EPEA demonstrated to form a stable interaction with SRC during a 100 ns simulation. In conclusion, the computational simulations revealed that the hypothetical antioxidant and anti-inflammatory actions of bitter leaf compounds were achieved by specifically targeting SRC. However, confirmation using either in vitro or in vivo techniques is necessary.
Co-Authors - Aslichan - Farida Abi Saptadinata Ahmad Fuad Akrom, Akrom Alex Denni Amril Aman Anas Miftah Fauzi Ani Suryani Anis Annisa Adnan Anwar Nur Arfian Muslim Ari Pambudi Arie Wibowo Khurniawan Arief Kusuma Arif Imam Suroso Asrul Siregar Bambang Indriyanto Bambang Indriyanto Bambang Indriyanto Bambang Sukaca Bayu Koen Anggoro Budy Wiryawan Celik, Ismail Chairunnisa Dedy Sugiarto Dian Pratomo E Gumbira Sa, E Gumbira Ekatanti, Dewi Elisa Anggraeni Elisa Anggraeni Elisa Anggraeni, Elisa Endang Warsiki dan Citra Dewi Wahyono Putri (E-Jurnal Agro-Industri Indonesia) Erliza Hambali Erry Yudhya Mulyani Fadilla Eka Aulyana Fitri Mulyaningsih Fredinan Yulianda Habibullah Habibullah Hadiwidjaja, Rini Dwiyani Halimatushadyah, Ernie Hanoch Maurizio Hetharia Harsasi, Mairani Hasan Supriadi Hendri Utami Henry Prastanto, Henry Heny Kuswanti Suwarsinah Hermanto Siregar Husni Y Rosadi, Husni Y Hutagaol, Manuntun Paruliah Ichwanudin, Muhammad Idqan Fahmi Idqan Fahmi Ika Amalia Kartika Ikbal Rachmat Imam Yuwono Intan Maria Lewiayu Vierke Irman Hermadi Khaswar Syamsu Kristiyanto, Ari Kulsum, Kulsum Lembito, Hoetomo Lukman M. Baga Luluk Sulistiyo Budi M Hasjim Bintoro M Syamsul Ma’arif M. ANWAR NUR M. Syamsul Maarif M. Syamsul Ma’arif Machfud Machfud Madi Hermadi, Madi Manggala, Panji Wira Marimin , Maulana Miladulhaq Maulydia, Nur B. Meika S. Rusli Moh. Yani Muhammad Romli dan Suprihatin Andes Ismayana Muhammad Syamsun Mursiti Mursiti Musa Hubeis Nanda Lega Jaya Putra Nastiti Siswi Indrasti Nasution, Efrida Yanti Nefianto, Tirton nFN Risfaheri Nugroho, Tezar Mega Nur Richana Okta Amelia Ono Suparno Pudji Muljono Rini Dwiyani Hadiwidjaja Rizal Syarief Rizal Syarief Rizal Syarief Safitri, Linda Safriyana Safriyana Sapta Raharja Saputra, Prabetti Amriyadi Sri Hartoyo Suharto Honggokusumo Sukardi Sukardi Syafa’at Ariful Huda, Tamala, Yulianida Tarigan, Mazmur Tatang Hidayat Titi C Sunarti Titi C. Sunarti Trina E. Tallei, Trina E. TRINA EKAWATI TALLEI Tun Tedja Irawadi Tyara Puspaningrum Ummanah Ummanah, Ummanah Utami, Purwani Puji Utomo, Prasetyo Hadi Vierke, Intan Maria Lewiayu Vioreza, Niken Wasrin Syafii Wijaya, Rahmat Yandra Arkenan Yazid Bindar Yessy Rosalina Zainal Alim Mas'ud