Scopus İndeksli Yayınlar Koleksiyonu
Permanent URI for this collectionhttps://hdl.handle.net/20.500.12573/395
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Article Citation - WoS: 24Citation - Scopus: 27In Silico Analysis of Bacteriocins From Lactic Acid Bacteria Against SARS-CoV(Springer, 2021-11-27) Erol, Ismail; Kotil, Seyfullah Enes; Fidan, Ozkan; Yetiman, Ahmet E.; Durdagi, Serdar; Ortakci, FatihThe COVID-19 pandemic caused by a novel coronavirus (SARS-CoV-2) is a serious health concern in the twenty-first century for scientists, health workers, and all humans. The absence of specific biotherapeutics requires new strategies to prevent the spread and prophylaxis of the novel virus and its variants. The SARS-CoV-2 virus shows pathogenesis by entering the host cells via spike protein and Angiotensin-Converting Enzyme 2 receptor protein. Thus, the present study aims to compute the binding energies between a wide range of bacteriocins with receptor-binding domain (RBD) on spike proteins of wild type (WT) and beta variant (lineage B.1.351). Molecular docking analyses were performed to evaluate binding energies. Upon achieving the best bio-peptides with the highest docking scores, further molecular dynamics (MD) simulations were performed to validate the structure and interaction stability. Protein-protein docking of the chosen 22 biopeptides with WT-RBD showed docking scores lower than -7.9 kcal/mol. Pediocin PA-1 and salivaricin P showed the lowest (best) docking scores of - 12 kcal/mol. Pediocin PA-1, salivaricin B, and salivaricin P showed a remarkable increase in the double mutant's predicted binding affinity with -13.8 kcal/mol, -13.0 kcal/mol, and -12.5 kcal/mol, respectively. Also, a better predicted binding affinity of pediocin PA-1 and salivaricin B against triple mutant was observed compared to the WT. Thus, pediocin PA-1 binds stronger to mutants of the RBD, particularly to double and triple mutants. Salivaricin B showed a better predicted binding affinity towards triple mutant compared to WT, showing that it might be another bacteriocin with potential activity against the SARS-CoV-2 beta variant. Overall, pediocin PA-1, salivaricin P, and salivaricin B are the most promising candidates for inhibiting SARS-CoV-2 (including lineage B.1.351) entrance into the human cells. These bacteriocins derived from lactic acid bacteria hold promising potential for paving an alternative way for treatment and prophylaxis of WT and beta variants.Article Citation - WoS: 9Citation - Scopus: 15A Fractional-Order Mathematical Model Based on Vaccinated and Infected Compartments of Sars-Cov With a Real Case Study During the Last Stages of the Epidemiological Event(Elsevier, 2023-06) Bilgil, Halis; Yousef, Ali; Erciyes, Ayhan; Erdinc, Ummugulsum; Ozturk, ZaferIn 2020 the world faced with a pandemic spread that affected almost everything of humans' social and health life. Regulations to decrease the epidemiological spread and studies to produce the vaccine of SARS-CoV-2 were on one side a hope to return back to the regular life, but on the other side there were also notable criticism about the vaccines itself. In this study, we established a fractional order differential equations system incorporating the vaccinated and re-infected compartments to a SIR frame to consider the expanded and detailed form as an SVIIvR model. We considered in the model some essential parameters, such as the protection rate of the vaccines, the vaccination rate, and the vaccine's lost efficacy after a certain period. We obtained the local stability of the disease-free and co-existing equilibrium points under specific conditions using the Routh-Hurwitz Criterion and the global stability in using a suitable Lyapunov function. For the numerical solutions we applied the Euler's method. The data for the simulations were taken from the World Health Organization (WHO) to illustrate numerically some scenarios that happened.(c) 2022 Elsevier B.V. All rights reserved.