Discovering the potential of natural remedies in the post COVID-19 complications based on in silico techniques

IF 1.7 Q3 CHEMISTRY, ORGANIC
Alkesh N Patel, Rushi Shah, Diwyanshi Zinzuvadia, Sagar Mahant, A. Patel
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Abstract

The first incidence of corona virus was reported in China in December of 2019, and the virus quickly spread over the world, eventually being designated a pandemic in March of 2020. It has had a disastrous impact on the global healthcare system. Virus has claimed the lives of 5,298,933 people through December 2021. As a result of the pandemic, there was a boost of research into diagnostic and therapeutic methods to infection. Gradually, the world has discovered new vaccine candidates and medicinal repurposing strategies that have a significant influence on mortality, by which there has been a drop-in death rates over the world since July, 2021. Many patients, particularly those who have been hospitalized due to a viral infection, experience complications beyond discharge that have a significant influence on their lives. Post COVID-19 complications are problems that last longer than 3-4 weeks following a viral infection. There is currently no specific treatment accessible for post COVID-19 problems because whatever medications are available or repurposed are limited to disease prophylaxis and therapeutics. As a result, we're looking for a remedy employing natural substances using the In-Silico technique (molecular docking) and recent research from reputable journals. Allicin, Berberine, Epigallocatechin, Rosmarinic acid and Withaferin-A were docked against ACE (PDB ID: 1O8A), IL-6 (PDB ID: 1ALU), NADPH Oxidase (PDB ID: 2CDU) and TNF-alpha (PDB ID: 2AZ5) using Autodock.
基于硅技术发现自然疗法在新冠肺炎后并发症中的潜力
2019年12月,中国报告了首例冠状病毒病例,该病毒迅速在世界各地传播,最终于2020年3月被指定为大流行。它对全球医疗体系产生了灾难性的影响。截至2021年12月,该病毒已夺走529893人的生命。由于新冠疫情,对感染的诊断和治疗方法的研究得到了加强。渐渐地,世界发现了对死亡率有重大影响的新的候选疫苗和药物再利用策略,自2021年7月以来,世界各地的死亡率都有所下降。许多患者,特别是那些因病毒感染而住院的患者,在出院后会出现并发症,这对他们的生活有重大影响。新冠肺炎后并发症是指病毒感染后持续3-4周以上的问题。目前没有针对新冠肺炎后问题的特定治疗方法,因为任何可用或重新利用的药物都仅限于疾病预防和治疗。因此,我们正在寻找一种利用In Silico技术(分子对接)和知名期刊最近的研究使用天然物质的疗法。使用Autodock将大蒜素、黄连素、表没食子儿茶素、迷迭香酸和Withaferin-A与ACE(PDB ID:1O8A)、IL-6(PDB ID:1ALU)、NADPH氧化酶(PDB ID:2CDU)和TNF-α(PDB ID:2AZ5)对接。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Organic Communications
Organic Communications CHEMISTRY, ORGANIC-
CiteScore
2.80
自引率
11.80%
发文量
21
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