Molecular Docking of the Interaction between Citrus amblycarpa Extract Contents and Inflammatory Proteins of Hepatic Steatosis

Authors

Lena Rosida, Department of Biomedical, Faculty of Medicine, Universitas Lambung Mangkurat, Banjarmasin 70123, Indonesia
Dewi Indah Noviana Pratiwi, Department of Clinical Pathology and Medical Laboratory, Faculty of Medicine, Universitas Lambung Mangkurat, Banjarmasin 70123, Indonesia
Roselina Panghiyangani, Department of Biomedical, Faculty of Medicine, and Medical Science Doctoral Program, Universitas Lambung Mangkurat, Banjarmasin 70123, IndonesiaFollow
Juliyatin Putri Utami, Department of Biomedical, Faculty of Dentistry, Universitas Lambung Mangkurat, Banjarmasin 70123, Indonesia
Nasrul Idhafi, Medical Undergraduates, Medical Bachelor's Program, Faculty of Medicine, Universitas Lambung Mangkurat, Banjarmasin 70123, Indonesia
Muhammad Febriansyah, Medical Undergraduates, Medical Bachelor's Program, Faculty of Medicine, Universitas Lambung Mangkurat, Banjarmasin 70123, Indonesia
Andi Azizah Maulidia Budiarman, Medical Undergraduates, Medical Bachelor's Program, Faculty of Medicine, Universitas Lambung Mangkurat, Banjarmasin 70123, Indonesia

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.

Recommended Citation

Rosida, Lena; Pratiwi, Dewi Indah Noviana; Panghiyangani, Roselina; Utami, Juliyatin Putri; Idhafi, Nasrul; Febriansyah, Muhammad; and Budiarman, Andi Azizah Maulidia (2024) "Molecular Docking of the Interaction between Citrus amblycarpa Extract Contents and Inflammatory Proteins of Hepatic Steatosis," Makara Journal of Science: Vol. 28: Iss. 2, Article 6.
DOI: 10.7454/mss.v28i2.2206
Available at: https://scholarhub.ui.ac.id/science/vol28/iss2/6