Molecular docking of gingerol and shogaol for immunomodulatory effect in lupus disease

Setyawati, Herni and Yunita, Oeke and Syahrani, Achmad (2024) Molecular docking of gingerol and shogaol for immunomodulatory effect in lupus disease. Pharmacy Education, 24 (3). pp. 141-146. ISSN 1477-2701

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Abstract

Background: One of the autoimmune diseases associated with high mortality is lupus or Systemic Lupus Erythematosus (SLE). In addition to symptomatic therapy, the treatment management of this condition includes immunomodulatory therapy. Various studies have been carried out on immunomodulators from natural products. Ginger rhizome (Zingiber officinale Roxb.) is a plant with potential immunomodulatory activity. Shogaol, which gives a spicy taste, is a metabolite of gingerol, a marker compound in ginger. Both of these compounds become important components of pharmacological activity. Objective: This study aimed to determine the in silico immunomodulatory activity of gingerol and shogaol compounds contained in ginger against S100A9, CTLA-4, SRSF1, JAK3, and MYD88 receptors. Method: In silico, a test was carried out using Pymol and PyRx applications, and receptors were involved in developing the immune system and SLE disease. Result: Docking results showed negative binding affinity and an RMSD of 2˚Angstroms. The shogaol, gingerol, and tofacitinib had several amino acid residues in common. Conclusion: In-silico analysis suggests that shogaol and gingerol could modulate the immune response against lupus. The resulting protein residues were similar between shogaol, gingerol, and the control, supporting their potential for immunomodulatory activity against lupus disease.

Item Type:	Article
Uncontrolled Keywords:	Gingerol, In-silico, Lupus, Shogaol, SLE
Subjects:	R Medicine > RS Pharmacy and materia medica
Divisions:	Faculty of Pharmacy > Department of Pharmacy
Depositing User:	Oeke Yunita, S.Si, M.Si. Apt (1161)
Date Deposited:	02 May 2024 03:03
Last Modified:	02 May 2024 04:18
URI:	http://repository.ubaya.ac.id/id/eprint/46299

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