Protein-Protein Docking Studies on Magnesium Chelatase of Ulva fasciata Against the Human TSHR Protein

Archana. G *

Department of Botany, Government Arts College for Men (Autonomous) Nandanam, Chennai-600035, India.

Sundararaj. R

Department of Botany, Government Arts College for Men (Autonomous) Nandanam, Chennai-600035, India.

*Author to whom correspondence should be addressed.


Abstract

The course and prognosis of hypothyroidism in humans are affected by the most common mutation in the hypothyroid protein, TSHR. To facilitate the potential mutant TSHR's interaction with Ulva fasciata's magnesium-chelatase, we utilize 3D Insilico drug docking approaches. The purpose of the entire research work is to introduce the seaweed protein against the humanTSHR protein using Insilico protocols. The translated amino acid sequence and three-dimensional chemical compound were taken from the NCBI database to perform drug docking procedures. In post-docking tests, advanced 3D molecular visualization capabilities were utilized. In post-docking tests, advanced 3D molecular visualization capabilities were utilized. The findings of the docking investigation indisputably demonstrate that amino acid mutational sites are directly suppressed by magnesium chelatase. The H-bond interaction between TSHR and magnesium chelatase is shown in three dimensions utilizing concepts from molecular dynamics techniques. Ultimately, we found that Ulva fasciata's pharmaceutical ingredient, magnesium chelatase, aids in the treatment of hypothyroidism. Hence, we finally conclude that one of the main endocrine hormonal problems is hypothyroidism, and our research serves to demonstrate how well the seaweed Ulva fasciata works as a unique medicinal agent to treat this disorder.

Keywords: TSHR, Ulva fasciata, protein–protein docking


How to Cite

Archana. G, & Sundararaj. R. (2024). Protein-Protein Docking Studies on Magnesium Chelatase of Ulva fasciata Against the Human TSHR Protein. UTTAR PRADESH JOURNAL OF ZOOLOGY, 45(6), 109–115. https://doi.org/10.56557/upjoz/2024/v45i63956

Downloads

Download data is not yet available.

References

Bartalena L, Kahaly GJ, Baldeschi L, Dayan CM, Eckstein A, Marcocci C, Marinò M, Vaidya B, Wiersinga WM, EUGOGO † (2021). The European Group on Graves' orbitopathy (EUGOGO) clinical practice guidelines for the medical management of Graves' orbitopathy. European journal of endocrinology. 2021; 185(4):G43–G67.

Bartalena L. Diagnosis and management of Graves disease: a global overview. Nature reviews. Endocrinology. 2013;9(12):724–734.

Weiler DL. Thyroid eye disease: a review. Clinical & experimental optometry. 2017;100(1):20–25.

Khamisi S, Lundqvist M, Emadi P, Almby K, Ljunggren Ö, Karlsson FA. Serum thyroglobulin is associated with orbitopathy in Graves' disease. Journal of endocrinological investigation. 2021;44(9): 1905–1911.

Cao J, Su Y, Chen Z, Ma C, Xiong W. The risk factors for Graves' ophthalmopathy. Graefe's archive for clinical and experimental ophthalmology = Albrecht von Graefes Archiv fur klinische und experimentelle Ophthalmologie. 2022; 260(4):1043–1054.

Kalasariya HS, Yadav VK, Yadav KK, Tirth V, Algahtani A, Islam S, Gupta N, Jeon BH. Seaweed-Based Molecules and Their Potential Biological Activities: An Eco-Sustainable Cosmetics. Molecules (Basel, Switzerland). 2021;26(17):5313.

Lomartire S, Gonçalves AMM. An Overview of Potential Seaweed-Derived Bioactive Compounds for Pharmaceutical Applications. Marine drugs. 2022;20(2): 141.

Gomez-Zavaglia A, Prieto Lage MA, Jimenez-Lopez C, Mejuto JC, Simal-Gandara J. The Potential of Seaweeds as a Source of Functional Ingredients of Prebiotic and Antioxidant Value. Antioxidants (Basel, Switzerland). 2019;8(9):406.

Salehi B, Sharifi-Rad J, Seca AML, Pinto DCGA, Michalak I, Trincone A, Mishra AP, Nigam M, Zam W, Martins N. Current Trends on Seaweeds: Looking at Chemical Composition, Phytopharmacology, and Cosmetic Applications. Molecules (Basel, Switzerland). 2019; 24(22):4182.

Sultana F. et al. ‘Seaweed farming for food and nutritional security, climate change mitigation and adaptation, and women empowerment: A Review’, Aquaculture and Fisheries. 2023;8(5) :463–480. DOI:10.1016/j.aaf.2022.09.001.

Ashkenazi DY, Figueroa FL, Korbee N, García-Sánchez M, Vega J, Ben-Valid S, Paz G, Salomon E, Israel Á, Abelson A. Enhancing Bioproducts in Seaweeds via Sustainable Aquaculture: Antioxidant and Sun-Protection Compounds. Marine drugs. 2022;20(12):767.

Devlin MJ. Coral reefs: The good and not so good news with future bright and dark spots for coral reefs through climate change. Global change biology. 2022; 28 (15):4506–4508.

Yan X, Liu J, Leng X, Ouyang H. Chemical Diversity and Biological Activity of Secondary Metabolites from Soft Coral Genus Sinularia since 2013. Marine drugs. 2021;19(6):335.

Souza CRM, Bezerra WP, Souto JT. Marine Alkaloids with Anti-Inflammatory Activity: Current Knowledge and Future Perspectives. Marine drugs. 2020;18(3): 147.

Alves C, Diederich M. Marine Natural Products as Anticancer Agents. Marine drugs. 2021; 19(8):447.

Sheehy EJ, Lemoine M, Clarke D, Gonzalez Vazquez A, O'Brien FJ. The Incorporation of Marine Coral Microparticles into Collagen-Based Scaffolds Promotes Osteogenesis of Human Mesenchymal Stromal Cells via Calcium Ion Signalling. Marine drugs. 2020;18(2):74.

Yan Y. et al. ‘The HDOCK server for integrated protein–protein docking’, Nature Protocols. 2020a;15(5):1829–1852. DOI:10.1038/s41596-020-0312-x.

Park BS, Li Z. Taxonomy and ecology of marine algae. Journal of Marine Science and Engineering. 2022;10(1):105.

Jimenez-Lopez C, Pereira AG, Lourenço-Lopes C, Garcia-Oliveira P, Cassani L, Fraga-Corral M, Prieto MA. Simal-Gandara J. Main bioactive phenolic compounds in marine algae and their mechanisms of action supporting potential health benefits. Food chemistry. 2021;341(Pt 2): 128262.

Houseini ST, Nemati F, Sattari A, Azadeh M, BishehKolaei R. Design of crRNA to Regulate MicroRNAs Related to Metastasis in Colorectal Cancer Using CRISPR-C2c2 (Cas13a) Technique. Cell journal. 2023;25(5):354–362.

Astalakshmi P. et al. ‘Identification of the efficiency of pentane on the bacterial and insecticide proteins of Aedes aegypti and aeromonas hydrophila by Insilico Methods’, International Journal of Mosquito Research. 2023a;10(3):47–53.

DOI:10.22271/23487941.2023.v10.i3a.678

Astalakshmi P. et al. ‘In silico study on hexadecanoic acid against the outer membrane protein transport protein of Culex quinquefasciatus and aeromonas hydrophila’, International Journal of Mosquito Research. 2023b;10(4): 07–14.

DOI:10.22271/23487941.2023.v10.i4a.680

GN, and VP. ‘Identification of a plant derivative (Hibiscus cannabinus) for Mosquito (anopheles darlingi) control using in silico protein-protein docking techniques’, International Journal of Mosquito Research. 2023;10(4):25–29. DOI:10.22271/23487941.2023.v10.i4a.683

Maithreyee S, Prabha V. ‘Molecular Interactions between Anti-nflammatory Drug with Colorectal Cancer (MSH2) Protein Using In-silico Studies’. Solovyov Studies ISPU. 2023; 71(10):171-186.

Nijanthi P, SS. and Munivelan B. ‘Molecular dynamics studies on the arginine kinase protein of Aedes sollicitans: Against the natural chemical compound, Gedunin’, International Journal of Mosquito Research. 2023;10(2): 10–14. DOI:10.22271/23487941.2023.v10.i2a.665

Suganya M, Devi GB. ‘Heavy Metal (PB) bioaccumulation study in Eisenia fetida and in the larvae of anopheles gambiae complex using in silico drug docking protocols’, International Journal of Mosquito Research. 2023;10(6):45–51. DOI:10.22271/23487941.2023.v10.i6a.716