Moroccan Medicinal plants as inhibitors against SARS-CoV-2 main protease: Computational investigations
Moroccan Medicinal plants as inhibitors against SARS-CoV-2 main protease: Computational investigations
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DOI：
10.1080/07391102.2020.1758790
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发表时间：
2020-05-05
影响因子：
4.4
通讯作者：
Bouachrine, M.
中科院分区：
文献类型：
--
作者：
Aanouz, I.;Belhassan, A.;Bouachrine, M.
新型冠状病毒，最近被称为严重急性呼吸道综合征冠状病毒（SARS-CoV-2），首次出现在中国，更准确地说是在武汉（2019年12月）。这种疾病可能是致命的。老年人和患有其他疾病的人（糖尿病，心脏病水平省略号）可能更容易受到伤害并患重病。这就是为什么治疗这种感染的药物研究在几个研究实验室仍然是必不可少的。天然草药长期以来一直是主要的，如果不是唯一的，在治疗疾病的口服传统补救措施。现代医学的成功归功于传统医学，其有效性来自药用植物。本研究的目的是确定天然来源的组分是否具有抗病毒作用，并且可以使用最可靠的方法防止人类感染这种冠状病毒，该方法是分子对接，用于发现研究分子与蛋白质之间的相互作用，在我们的情况下，我们基于冠状病毒（nCoV-2019）主要蛋白酶的抑制剂。分子对接的结果表明，在67个天然来源的分子中，根据这些分子与所研究的蛋白质之间的相互作用的能量类型，提出了3个分子（藏红花素、洋地黄毒苷和β-桉叶醇）作为抗冠状病毒的抑制剂。[图形]。
The new Corona-virus, recently called the severe acute respiratory syndrome Coronavirus (SARS-CoV-2) appears for the first time in China and more precisely in Wuhan (December 2019). This disease can be fatal. Seniors, and people with other medical conditions (diabetes, heart disease horizontal ellipsis ), may be more vulnerable and become seriously ill. This is why research into drugs to treat this infection remains essential in several research laboratories. Natural herbal remedies have long been the main, if not the only, remedy in the oral tradition for treating illnesses. Modern medicine has known its success thanks to traditional medicine, the effectiveness of which derives from medicinal plants. The objective of this study is to determine if the components of natural origin have an anti-viral effect and which can prevent humans from infection by this coronavirus using the most reliable method is molecular docking, which used to find the interaction between studied molecules and the protein, in our case we based on the inhibitor of Coronavirus (nCoV-2019) main protease. The results of molecular docking showed that among 67 molecules of natural origin, three molecules (Crocin, Digitoxigenin, and beta-Eudesmol) are proposed as inhibitors against the coronavirus based on the energy types of interaction between these molecules and studied protein.[GRAPHICS].