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Journal : Makara Journal of Science

Molecular Docking of the Interaction between Citrus amblycarpa Extract Contents and Inflammatory Proteins of Hepatic Steatosis Rosida, Lena; Pratiwi, Dewi Indah Noviana; Panghiyangani, Roselina; Utami, Juliyatin Putri; Idhafi, Nasrul; Febriansyah, Muhammad; Budiarman, Andi Azizah Maulidia
Makara Journal of Science Vol. 28, No. 2
Publisher : UI Scholars Hub

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Abstract

Citrus amblycarpa possesses various pharmacological activities, such as antioxidant, anticancer, antitumor, hepatoprotective, anti-inflammatory, antidiabetic, antiviral, antibacterial, and antifungal. The main active compounds in C. amblycarpa (including gamma (γ)-aminobutyric acid [GABA], hesperidin, naringin, neoeriocitrin, poncirin, quercetin, and rutin) show potential to interact with the inflammatory proteins in hepatic steatosis (such as nuclear factor kappa beta [NF-kB], tumor necrosis alpha [TNF-alpha], interleukin-6 [IL-6], c-Jun NH2-terminal kinase [JNK], and adiponectin). Molecular docking simulations were performed using Swiss Dock (http://www.swissdock.ch/), and analysis and visualization were conducted using Discovery Studio 4.1. Rutin, poncirin, hesperidin, and neoeriocitrin exhibit high affinities to NF-κB, TNF-alpha, IL-6, and adiponectin proteins, respectively. Similar to curcumin–adiponectin complex interaction, neoeriocitrin–adiponectin interaction involves GLY 223, PRO41, and VAL93 residues. Thus, the most potent inhibitor of hepatic sterosis marker was neoeriocitrin.
Co-Authors Afandi, Aril Afif, Arriza Maulana Agustin, Mely Akhmad Siddiq, Akhmad Albetian Pangalila, Yonas Alfandi, Aril Alifiansyah, Fadlan Nur Alzril, Muhammad Anggini, Yuni Ardian Ardian Ardianto, Erdhiek Ari Darmastuti ARI KURNIAWAN Arizka Warganegara Arsela Eko Listiono Ashari, Minanti Mayda Astried Silvanie Baskoro, Benecditus Harjo Boy Firmansyah Budiarman, Andi Azizah Maulidia cahya, waskita Deny Setiawan Devi Puspita Sari, Devi Puspita Dewi Indah Noviana Pratiwi, Dewi Indah Noviana Dinata, Riadi Marta Dwicahya, Fazryan effendi, Harlan Effendy, Vina Ardelia Efrani, Birgitta Ayu Eko Agus Srihanto, Eko Agus Elly Lestari Rustiati Elvinawati Ervianti, Natalia Fahrezi, Aditya Febriyanto, Satrio Fikri Fahresi, Daffa Fikri, Afdhal Yaumil Filda Angellia Firdauzi, Muhammad Fithriyyah, Hulwah Fitri Rahmafitria, Fitri Hafiz Saputra, Saiful Haqqul Yaqin Heidiani Ikasari, Ines Hertanto Hertanto, Hertanto Heru Susetyo Hidayat, Deski Hisyam, Muhamad Ali Hustia, Anggreany I Nyoman Candra Idhafi, Nasrul Ilahidayah, Wahyumi Imtitsal, Aulia Indah Ayu Lestari, Indah Ayu Ingrid Nurtanio Ja'far, Suhermanto Jaya, Rahmat Junaidi , Ahmad Krisbintoro, R Sigit Kusuma, Andriyani Wijaya Laidinar, Shaubi Lely Shofa Imama Lena Rosida Lestari, Septi Wahyu Maharani, Annisa Lidya Mahfut Mahilaveda, Nadila Mahmud Arjiansyah, Abiem Mochammad Imron Awalludin MUHAMMAD ALI Muliana, M Mursalin, M Muslima Muslima, Muslima Nabila, Anggun T. Nur Amalina Nurhamidah Nurul Hidayati Oktaviana, Meta Pazira, Zira Perani Rosyani Permatasari, Nindy Pratama, Alpin Pratama, Muh. Rezky Pratiwi, Dian Neli Priyambodo Priyambodo Priyambodo Raden Mohamad Herdian Bhakti Ramadhan, Viki Ramdani, Farhan Rifki Rifki, Rifki Robi'ah, Robi'ah Roselina Panghiyangani Sa'uddah, Lousanja D. Sandra, Shifa Saputri, Irna Sari, Wiwin Wulan Saswiyanti, Enny Sidik Permana, Dwi Sidik, Mahfud Son Haji, Yopi Sucita, Sucita Suhada Suhada, Suhada Sundari, Ella Susanto, Alvin Wiwiet Susilawati, Susilawati Syabifi, Fiqla Syarif Hidayat Syawal, La Ode Muhammad Taruna Nasution, Taruna Teti Desyani Thesalonika, Natasya Tri Haryanto, Agus Utami Dewi, Dyah Utami, Juliyatin Putri Wahyu Hidayat, Ahmad Wahyu Tyas Pramono WINARNO Winarno Winarno Yamin, Muhammad Ikrar Yani, Ani Andri Yeyen, Putri Yuliana Andriyani Yunita, Alfiranty Yusuf, Mukarramah Zukhruf, Elevina