[定量生物学] 印度草本植物对COVID-19蛋白酶的抑制作用 硅胶研究 [推广有奖]

摘要翻译：
新冠肺炎迅速在全球蔓延，成为一种流行病。这一疾病在不同国家的影响各不相同，取决于其文化规范、缓解努力和卫生基础设施。在印度，大多数人依靠印度传统医学来治疗人类疾病，因为它成本低，容易获得，而且没有任何副作用。这些药是由草药制成的。这项研究旨在评估印度草药植物在寻找潜在的新冠肺炎抑制剂中使用的硅方法。我们考虑了这些植物中11种不同种类的18种提取物。所提取化合物的亲脂性、水溶性和结合亲和力的计算表明：抑制电位的大小顺序为：抑制电位的大小依次为：抑制电位的大小依次为：抑制电位的大小；harsingar>芦荟>giloy>姜黄>印楝>红洋葱>tulsi>大麻>黑胡椒。通过与羟氯喹的结合亲和力比较，我们发现哈辛克、芦荟和金龟子提取物具有很好的抑制作用。因此，我们相信，这些发现将打开进一步的可能性，并加速寻找这种疾病的解毒剂的工作。
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英文标题：
《On the Inhibition of COVID-19 Protease by Indian Herbal Plants: An In
  Silico Investigation》
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作者：
Ambrish Kumar Srivastava, Abhishek Kumar, Neeraj Misra
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最新提交年份：
2020
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分类信息：

一级分类：Quantitative Biology        数量生物学
二级分类：Other Quantitative Biology        其他定量生物学
分类描述：Work in quantitative biology that does not fit into the other q-bio classifications
不适合其他q-bio分类的定量生物学工作
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英文摘要：
  COVID-19 has quickly spread across the globe, becoming a pandemic. This disease has a variable impact in different countries depending on their cultural norms, mitigation efforts and health infrastructure. In India, a majority of people rely upon traditional Indian medicine to treat human maladies due to less-cost, easier availability and without any side-effect. These medicines are made by herbal plants. This study aims to assess the Indian herbal plants in the pursuit of potential COVID-19 inhibitors using in silico approaches. We have considered 18 extracted compounds of 11 different species of these plants. Our calculated lipophilicity, aqueous solubility and binding affinity of the extracted compounds suggest that the inhibition potentials in the order; harsingar > aloe vera > giloy > turmeric > neem > ashwagandha > red onion > tulsi > cannabis > black pepper. On comparing the binding affinity with hydroxychloroquine, we note that the inhibition potentials of the extracts of harsingar, aloe vera and giloy are very promising. Therefore, we believe that these findings will open further possibilities and accelerate the works towards finding an antidote for this malady.
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PDF链接：
https://arxiv.org/pdf/2004.03411