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首页> 外文期刊>RSC Advances >Nature as a treasure trove of potential anti-SARS-CoV drug leads: a structural/mechanistic rationale
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Nature as a treasure trove of potential anti-SARS-CoV drug leads: a structural/mechanistic rationale

机译：自然作为潜在的抗SARS-COV药物的宝库：结构/机械理由

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摘要

The novel Coronavirus disease 2019 (COVID-19) caused by SARS-CoV-2 is a potential factor for fatal illness and a tremendous concern for global public health. The COVID-19 pandemic has entered a dangerous new phase. In the context of drug discovery, the structurally-unique and chemically-diverse natural products have been valuable sources for drug leads. In this review, we report for potential candidates derived from natural sources with well-reported in vitro efficacy against SARS-CoV during the last decade. Additionally, a library of 496 phenolic metabolites was subjected to a computer-aided virtual screening against the active site of the recently reported SARS-CoV Main protease (M-pro). Analysis of physicochemical properties of these natural products has been carried out and presented for all the tested phenolic metabolites. Only three of the top candidates, viz. acetylglucopetunidin (31), isoxanthohumol (32) and ellagic acid (33), which are widely available in many edible fruits, obey both Lipinski's and Veber's rules of drug-likeness and thus possess high degrees of predicted bioavailability. These natural products are suggested as potential drug candidates for the development of anti-SARS-CoV-2 therapeutics in the near future.
机译：由SARS-COV-2引起的新型冠状病毒疾病2019（Covid-19）是致命疾病的潜在因素，以及全球公共卫生的巨大关注。 Covid-19大流行进入了危险的新阶段。在药物发现的背景下，结构 - 独特和化学多样化的天然产物是药物引线的宝贵来源。在这篇综述中，我们向潜在的候选人报告了来自天然来源的潜在候选者，在过去十年中，对SARS-COV的体外效能良好。另外，将496个酚醛代谢物的文库进行计算机辅助虚拟筛查，用于对最近报道的SARS-COV主蛋白酶（M-Pro）的活性部位进行过敏筛查。已经进行了这些天然产物的物理化学性质的分析，并为所有测试的酚醛代谢物呈现。只有三个顶级候选人，viz。乙酰葡萄糖昆虫蛋白（31），异昔洛莫酚（32）和鞣花酸（33）在许多可食用的水果中广泛使用，遵守Lipinski和Veber的药物象征规则，因此具有高度预测的生物利用度。这些天然产品被建议在不久的将来开发抗SARS-COV-2治疗案件的潜在药物候选人。

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  • 来源
    《RSC Advances》 |2020年第34期|共13页
  • 作者

    Sayed Ahmed M.; Khattab Amira R.; AboulMagd Asmaa M.; Hassan Hossam M.; Rateb Mostafa E.; Zaid Hala; Abdelmohsen Usama Ramadan;

  • 作者单位

    Nahda Univ Fac Pharm Dept Pharmacognosy Bani Suwayf 62513 Egypt;

    Arab Acad Sci Technol &

    Maritime Transport Coll Pharm Pharmacognosy Dept Alexandria 1029 Egypt;

    Nahda Univ Fac Pharm Pharmaceut Chem Dept Bani Suwayf 62513 Egypt;

    Nahda Univ Fac Pharm Dept Pharmacognosy Bani Suwayf 62513 Egypt;

    Univ West Scotland Sch Comp Engn &

    Phys Sci Paisley PA1 2BE Renfrew Scotland;

    Minist Hlth &

    Populat Cairo Egypt;

    Menia Univ Fac Pharm Dept Pharmacognosy Al Minya 61519 Egypt;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 化学;
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