IN SILICO STUDY OF MONOSACCHARIDE COMPOUNDS EFFECT ON B CELL RECEPTORS (BCR) FROM NONI FRUIT (MORINDA CITRIFOLIA)
Keywords:Monosaccharide, In silico, Morinda citrifolia, Independent antigen (TI), B cell receptors (BCR)
Objective: Noni fruit has been widely used as a treatment. The content of saccharides in noni can affect the immune system, especially as independent antigens (TI) against B cell receptors (BCR). TI can produce antibodies without being influenced by T cells. Therefore, this study aims to look at the effect of IT on BCR with the in silico method approach.
Methods: Ligands were obtained from Zink Web and macromolecules were obtained from Protein Data Bank with code 2H32. Ligand optimization using VegaZZ software and macromolecules is optimized using UCSF Chimera software. Ligands and macromolecules are docking using MOE software.
Result: The results showed that monosaccharide compounds have an interaction with BCR, which is characterized by a decrease in free energy. The D-Galactose compound has the largest binding affinity of-4.80 kcal/mol.
Conclusion: Monosaccharide compounds are independent antigens (TI) of noni (Morinda citrifolia) that can affect on B cell receptors (BCR), which have identical epitopes.
2. E Sasmito. Polysaccharide rich fraction of noni fruit (Morinda citrifolia L.) as doxorubicin co-chemotherapy: evaluation of catalase, macrophages, and TCD8+lymphocytes. Sci Pharm 2015;83:479–88.
3. AKT Bui, A Bacic, F Pettolino. Polysaccharide composition of the fruit juice of morinda citrifolia (Noni). Phytochemistry 2006;67:1271–5.
4. TV Obukhanych, MC Nussenzweig. T-independent type II immune responses generate memory B cells. J Exp Med 2006;203:305–10.
5. AK Abbas, AHH Lichtman, S Pillai. Cellular and Molecular Immunology E-Book. Elsevier Health Sciences; 2017.
6. B Dzhambazov. The major T cell epitope on type II collagen is glycosylated in normal cartilage but modified by arthritis in both rats and humans. Eur J Immunol 2005;35:357–66.
7. BA Cobb, Q Wang, AO Tzianabos, DL Kasper. Polysaccharide processing and presentation by the MHCII pathway. Cell 2004;117:677–87.
8. J Duan, FY Avci, DL Kasper. Microbial carbohydrate depolymerization by antigen-presenting cells: deamination prior to presentation by the MHCII pathway. Proc Natl Acad Sci USA 2008;105:5183–8.
9. FY Avci, X Li, M Tsuji, DL Kasper. Carbohydrates and T cells: a sweet twosome. Semin Immunol 2013;25:146–51.