基于姜黄素和大蒜素的生物活性化合物作为结构生物信息学工具治疗严重急性呼吸系统综合征冠状病毒2型的潜在药物综述

Axel Fortunio Shiloputra, A. A. Parikesit, J. T. Darmawan, Viona Pricillia, D. D. R. Turista, A. Ansori
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引用次数: 1

摘要

最近全球爆发的SARS-CoV-2以及缺乏针对该疾病的特定治疗方法,促使科学界研究一些替代的本土治疗方法。SARS-CoV-2是导致2019冠状病毒疾病(COVID-19)的病毒。这种病毒有4种辅助蛋白,即S(刺突)、E(包膜)、M(膜)和N(核衣壳)蛋白。主要的蛋白酶和依赖RNA的RNA聚合酶也是病毒复制和存活的基本结构。每一种蛋白质都是病毒的结构,是药物的潜在目标,是任何针对病毒的药物发现过程中的先导。目前可用的治疗方法并非针对该疾病,因此会产生意想不到的副作用,可能非常危险,有时甚至致命。这些治疗中有许多是补充性的,或者是基于从其他病毒爆发中重新利用的药物。需要常规药物的替代品来控制疾病的传播和严重程度。大蒜素、姜黄素及其衍生物对SARS-CoV-2抗病毒特性的研究表明,它们对SARS-CoV-2存活所必需的结构,特别是主要的蛋白酶和RNA依赖性RNA聚合酶具有良好的结合亲和力。结构生物信息学工具引出了预测天然产物基化合物生物活性的方法。除了提供有益的药物外,天然产品在供应、物流和可负担性方面还具有其他优势。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
An Overview of the Curcumin-Based and Allicin Bioactive Compounds as potential treatment to SARS-CoV-2 with structural bioinformatics tools
The recent outbreak of SARS-CoV-2 across the globe and the absence of a specific cure against the disease lead the scientific community to investigate some alternative indigenous treatments. SARS-CoV-2 is the virus responsible for the coronavirus ailment 2019 (COVID-19). This virus has 4 auxiliary proteins namely the S (spike), E (envelope), M (membrane), and N (nucleocapsid) proteins. The main proteases and RNA dependent RNA polymerase are also essential structures by which the virus replicates and survives. Each of these proteins are structures of the virus that are potential targets for drugs which are leads in the drug discovery process of any drug for the virus. Currently available treatments are not specific to the disease and therefore carry unwanted adverse effects that can be highly dangerous and sometimes fatal. Many of these treatments are supplementary in nature or based on repurposed drugs from other viral outbreaks. Alternatives of conventional drugs are required to control the spread and severity of the disease. Allicin, curcumin and their derivatives have been researched for their antiviral property and shown to have good binding affinity towards SARS-CoV-2 structures essential in their survival, especially the main proteases and RNA dependent RNA polymerases. The structural bioinformatics tools have elicited methods to predict the bioactivity of the natural product-based compounds. Apart from the beneficial medication that they offer, natural products carry along other advantages for the current pandemic situation in terms of supply, logistics, and affordability.
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