In Silico Study of Flavonoids Against Helix pomatia agglutinin Targeting Gut Microbiota
Shivangi Sharma ()Flavonoids have critical roles in a wide range of pharmacological, beauty products, neutraceutical, as well as medicinal uses. These have been shown for their cancer-fighting qualities, including antioxidants, anti-inflammatory properties, blood lipid-lowering, including cholesterol-lowering effects. The present paper describes a chemical binding investigation involving flavonoids and Helix pomatia agglutinin (PDB ID: 2CGZ). The results from a computational docking molecular investigation of such variants to investigate the binding affinity, residual interaction, and hydrogen bonding of various polyphenols towards Helix pomatia agglutinin are presented. Flavonoids have a binding attraction value ranging from -5.8 to -6.1 Kcal/mol. The present study indicated that flavonoids could be useful in colon cancer by targeting the bacteria in the intestines, resulting in the production of strong anticancer drugs.
-
1.
(1) Arafa, R. K.; Hegazy, G. H.; Piazza, G. A.; Abadi, A. H. Synthesis and in vitro antiproliferative effect of novel quinoline-based potential anticancer agents. European Journal of Medicinal Chemistry 2013, 63, 826-832. DOI: 10.1016/j.ejmech.2013.03.008.
-
2.
(2) Sharma, S. M., Pankaj and Singh Shivendra. Natural Existence and Bioactivity of Flavonoids: Synthetic Strategies and Mechanistic Pathways. Mini-Reviews in Organic Chemistry 2024.
-
3.
(3) Pietta, P.-G. Flavonoids as antioxidants. Journal of natural products 2000, 63 (7), 1035-1042.
-
4.
(4) Chemistry, S. S. J. o. M.; undefined. Molecular docking study for binding affinity of Indole derivatives against solution structure of the antimicrobial peptide Btd-2. pubs.thesciencein.org 2024 (1), 686-686.
-
5.
(5) Funakoshi-Tago, M.; Nakamura, K.; Tago, K.; Mashino, T.; Kasahara, T. Anti-inflammatory activity of structurally related flavonoids, Apigenin, Luteolin and Fisetin. International Immunopharmacology 2011, 11 (9), 1150-1159. DOI: 10.1016/j.intimp.2011.03.012.
-
6.
(6) Zeng, W.; Jin, L.; Zhang, F.; Zhang, C.; Liang, W. Naringenin as a potential immunomodulator in therapeutics. Pharmacological Research 2018, 135, 122-126. DOI: 10.1016/J.PHRS.2018.08.002.
-
7.
(7) Ungar, Y.; Osundahunsi, O. F.; Shimoni, E. Thermal stability of genistein and daidzein and its effect on their antioxidant activity. Journal of Agricultural and Food Chemistry 2003, 51 (15), 4394-4399. DOI: 10.1021/jf034021z.
-
8.
(8) Lee, Y. J.; Wu, T. D. Total synthesis of kaempferol and methylated kaempferol derivatives. Journal of the Chinese Chemical Society 2001, 48 (2), 201-206.
-
9.
(9) Dar, R. A.; Naikoo, G. A.; Hassan, I. U.; Shaikh, A. M. H. Electrochemical behavior of kaempferol and its determination in presence of quercetin employing multi-walled carbon nanotube modified carbon paste electrode. Analytical Chemistry Research 2016, 7, 1-8. DOI: 10.1016/j.ancr.2015.11.002.
-
10.
(10) Lescar, J.; Sanchez, J.-F.; Audfray, A.; Coll, J.-L.; Breton, C.; Mitchell, E. P.; Imberty, A. Structural basis for recognition of breast and colon cancer epitopes Tn antigen and Forssman disaccharide by Helix pomatia lectin. Glycobiology 2007, 17 (10), 1077-1083.
-
11.
(11) Trott, O.; Olson, A. J. AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, effcient optimization and multithreading. Journal of Computational Chemistry 2010, 31 (2), 455-461.
-
12.
(12) Biovia, D. S. Discovery studio visualizer. San Diego, CA, USA 2017, 936.-936.
-
13.
(13) Dzoyem, J. P.; Tchamgoue, J.; Tchouankeu, J. C.; Kouam, S. F.; Choudhary, M. I.; Bakowsky, U. Antibacterial activity and cytotoxicity of flavonoids compounds isolated from Pseudarthria hookeri Wight & Arn. (Fabaceae). South African Journal of Botany 2018, 114, 100-103. DOI: 10.1016/j.sajb.2017.11.001.
-
14.
(14) Iranshahi, M.; Rezaee, R.; Parhiz, H.; Roohbakhsh, A.; Soltani, F. Protective effects of flavonoids against microbes and toxins: The cases of hesperidin and hesperetin. In Life Sciences, Elsevier Inc.: 2015; Vol. 137, pp 125-132.
-
15.
(15) Sánchez, I.; Gómez-Garibay, F.; Taboada, J.; Ruiz, B. H. Antiviral Effect of Flavonoids on the Dengue Virus; 2000.
-
16.
(16) Patil, V. M.; Masand, N. Anticancer Potential of Flavonoids: Chemistry, Biological Activities, and Future Perspectives. In Studies in Natural Products Chemistry, Vol. 59; Elsevier B.V., 2018; pp 401-430.
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