甘草提取物抗新型冠状病毒肺炎的体外抗炎预测

Mansoureh Nazari
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引用次数: 0

摘要

由于其抗炎作用,甘草提取物是可能对抗2019年冠状病毒病(COVID-19)的天然提取物之一。在本文中,我们评估了原产于西亚、北非和南欧的甘草中有效化合物的分子对接特性,并基于分子对接特性比较了其与瑞德西韦作为阳性化合物的抗炎作用。根据其在甘草药理作用中的重要作用筛选出主要活性化合物。本研究结果表明,大多数被研究的主要化合物在抑制COVID-19刺突蛋白方面的相互作用强于所选的瑞德西韦。与阳性对照相比,该配体的结合亲和力和药物相似特性的综合得分被证明是潜在的COVID-19抑制剂。相互作用的活性位点分析也表明含有活性化合物的甘草提取物可能具有抗COVID-19的治疗作用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
In Silico Anti-Inflammation Prediction of Glycyrrhiza Extracts Against Covid-19
Due to its anti-inflammation effect, Glycyrrhiza extract is one of the natural extracts that may potentially combat coronavirus disease in 2019 (COVID-19). In the current article, we evaluate in silico (molecular docking) properties of active compounds available in Glycyrrhiza, native to Western Asia, North Africa, and Southern Europe, and compare its anti-inflammation effect with remdesivir as positive compounds based on molecular docking characteristics. The main active compounds were selected based on their significant roles in the pharmacological effects of Glycyrrhiza. The results obtained in this study demonstrated that most of the studied main compounds interacted stronger than selected remdesivir to inhibit the spike protein in COVID-19. The combined scores (binding affinity and drug-likeness properties of the ligand, demonstrated to be the potentially possible COVID-19 inhibitor compared with positive control. The active site analysis of the interactions also showed that Glycyrrhiza extract containing active compounds might have therapeutic effects against COVID-19.
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