In silico prediction of siRNA to silence the SARS-CoV-2 omicron variant targeting BA.4, BA.5, BQ.1, BQ1.1. and XBB: an alternative to traditional therapeutics

IF 3.4 Q2 PHARMACOLOGY & PHARMACY Future Journal of Pharmaceutical Sciences Pub Date : 2023-08-02 DOI:10.1186/s43094-023-00510-3
Rahatul Islam, Asif Shahriar, Nour Fatema, Muhammad Ramiz Uddin, Mrityunjoy Acharjee, Md Mukhlesur Rahman Shepon, Avishek Sarkar, Khosnur Jahan Aurin
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Abstract

Background

After the first infection in December 2019, the mutating strains of SARS-CoV2 have already affected a lot of healthy people around the world. But situations have not been as devastating as before the first pandemic of the omicron strains of SARS-CoV2. As of January 2023, five more Omicron offshoots, BA.4, BA.5, B.Q.1, B.Q.1.1 and XBB are now proliferating worldwide. Perhaps there are more variants already dormant that require only minor changes to resurrect. So, this study was conducted with a view to halting the infection afterwards. The spike protein found on the virus outer membrane is essential for viral attachment to host cells, thus making it an attractive target for vaccine, drug, or any other therapeutic development. Small interfering RNAs (siRNAs) are now being used as a potential treatment for various genetic conditions or as antiviral or antibacterial therapeutics. Thus, in this study, we looked at spike protein to see if any potential siRNAs could be discovered from it.

Results

In this study, by approaching several computational assays (e.g., GC content, free energy of binding, free energy of folding, RNA–RNA binding, heat capacity, concentration plot, validation, and finally molecular docking analysis), we concluded that two siRNAs could be effective to silence the spike protein of the omicron variant. So, these siRNAs could be a potential target for therapeutic development against the SARS-CoV2 virus by silencing the spike protein of this virus.

Conclusion

We believe our research lays the groundwork for the development of effective therapies at the genome level and might be used to develop chemically produced siRNA molecules as an antiviral drug against SARS-CoV2 virus infection.

Graphical abstract

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siRNA沉默靶向BA.4、BA.5、BQ.1、BQ1.1的严重急性呼吸系统综合征冠状病毒2型奥密克戎变体的计算机预测。和XBB:传统疗法的替代品
在2019年12月首次感染后,突变的SARS-CoV2毒株已经影响了世界各地的许多健康人。但情况并不像SARS-CoV2组粒毒株第一次大流行之前那样具有破坏性。截至2023年1月,另外五个欧米克隆分支,BA.4, BA.5, b.q1, B.Q.1.1和XBB正在全球范围内扩散。也许有更多的变种已经休眠,只需要微小的改变就可以复活。因此,这项研究是为了防止感染。在病毒外膜上发现的刺突蛋白对于病毒附着于宿主细胞至关重要,因此使其成为疫苗、药物或任何其他治疗开发的有吸引力的靶标。小干扰rna (sirna)现在被用作各种遗传疾病或抗病毒或抗菌治疗的潜在治疗方法。因此,在这项研究中,我们观察了刺突蛋白,看看是否可以从中发现任何潜在的sirna。结果通过GC含量、结合自由能、折叠自由能、RNA-RNA结合、热容、浓度图、验证和最后的分子对接分析等计算分析,我们得出结论,两个sirna可以有效地沉默组粒变异的刺突蛋白。因此,通过沉默SARS-CoV2病毒的刺突蛋白,这些sirna可能成为治疗SARS-CoV2病毒的潜在靶标。结论我们的研究为开发基因组水平的有效治疗方法奠定了基础,并可能用于开发化学合成的siRNA分子作为抗病毒药物来对抗SARS-CoV2病毒感染。图形抽象
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来源期刊
自引率
0.00%
发文量
44
审稿时长
23 weeks
期刊介绍: Future Journal of Pharmaceutical Sciences (FJPS) is the official journal of the Future University in Egypt. It is a peer-reviewed, open access journal which publishes original research articles, review articles and case studies on all aspects of pharmaceutical sciences and technologies, pharmacy practice and related clinical aspects, and pharmacy education. The journal publishes articles covering developments in drug absorption and metabolism, pharmacokinetics and dynamics, drug delivery systems, drug targeting and nano-technology. It also covers development of new systems, methods and techniques in pharmacy education and practice. The scope of the journal also extends to cover advancements in toxicology, cell and molecular biology, biomedical research, clinical and pharmaceutical microbiology, pharmaceutical biotechnology, medicinal chemistry, phytochemistry and nutraceuticals.
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