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The World Health Organization (WHO) has classified COVID-19 as a pandemic infection due to the global spread of new corona virus infections. Due to this virus infection, millions of people all around the world had to die or endure severe disease. It will be crucial to find new therapeutic treatments in order to prepare for a similar viral pandemic in the future. Carrageenans have apparently been effective against 12 viruses, including SAR-COV-2. In this investigation, angiotensin-converting enzyme 2 (ACE2) and main protease (Mpro) were used as molecular targets for virtual screening of kappa-, lambda-, and iota- carrageenans. When compared to antiviral drugs, the results show that all three carrageenans have substantial binding affinity for ACE2 and Mpro. The binding affinity of iota-carrageenan is greater than that of other compounds. The binding affinity suggests that carrageenans could be utilized to produce potent antiviral drugs.
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Alvarez-Vinas M. Antiviral Activity of Carrageenans and Processing Implications / M. Alvarez-Vinas, S. Souto, N. Florez-Fernandez et al. // Mar. Drugs. 2021, 19, 437. DOI: 10.3390/md19080437
Padmi H. Macroalgae Bioactive Compounds for the potential Antiviral of SARS-CoV-2: An In Silico Study / H. Padmi, V.D. Kharisma, A.N.M. Ansori et al. // J Pure Appl Microbiol. 2022; 16(2): 1018-1027. DOI: 10.2227/JPAM.16.2.26
Froba M. Iota- Carrageenan Inhibits Replication of SARS-CoV-2 and the Respective Variants of Concern Alpha, Beta, Gamma and Delta / M. Froba, M. GroBe, C. Setz et al. // Int. J. Mol. Sci. 2021, 22, 13202. DOI: 10.3390/ijms222413202
Yadav R. Role of structural and Non-structural Proteins and Therapeutic Targets of SARS-CoV-2 for COVID-19 / R. Yadav, J.K. Chaudhary, N. Jain et al. // Cells. 2021, 10, 821. DOI: 10.3390/cells10040821
Robinson B.W.S. Why we still need drugs for COVID-19 and can’t just rely on vaccines / B.W.S. Robinson, A. Tai, K. Springer // Respirology. 2022; 27: 109-11. DOI: 10.1111/resp.14199
Liu Y. CB- Dock2: improved protein- ligand blind docking by integrating cavity detection, docking and homologous template fitting / Y. Liu, X. Yang, J. Gan et al. // Nucleic Acids Research, 2022, 50, Web Service Issue. W159-W164. DOI: 10.1093/nar/gkac394
Stierand. Poseview- molecular interaction patterns at a glance / Stierand and Rarey // Journal of Cheminformatics. 2010. 2(Suppl 1): P50. DOI: 10.1186/1758-2946-2-S1-P50
Aung T.H. Proximicin A-C as prospective HER2- positive and negative breast cancer drugs: Molecular docking and in silico ADME modeling / T.H. Aung // IPS Journal of Molecular Docking Simulations, 2022, 1(1), 1-11. DOI: 10.54117/ijmds.v1i1.9
Pantsar T. Binding Affinity via Docking: Fact and Fiction / T. Pantsar, A. Poso // Molecules. 2018, 23, 1899; DOI: 10.3390/molecules2381899
Joshi T. European Review for Medical and Pharmacological Sciences / T. Joshi, T. Joshi, P. Sharma, et al. 2020, 24: 4529-4536.
Vicidomini C. In silico investigation on the interaction of Chiral phytochemicals from Opuntia ficus-indica with SARS- CoV-2 Mpro / C. Vicidomini, V. Roviello, G.N. Roviello // Symmetry. 2021, 13, 1041. DOI: 10.3390/sym1361041
Ni W. Role of angiotensin- converting enzyme 2 (ACE2) in Covid 19 / W. Ni, X. Yang, D. Yang et al. // Crit Care. 24, 2020, 422. DOI: 10.1186/s13054-020-03120-0