Alrasheid Ayat Ahmed, Babiker Mazin Yousif, Awad Talal Ahmed
Department of Pharmacognosy, Faculty of Pharmacy, University of Medical Sciences and Technology, Khartoum, Sudan.
Department of Pharmacology and Toxicology, Faculty of Pharmacy, International University of Africa, Khartoum, Sudan.
In Silico Pharmacol. 2021 Jan 6;9(1):10. doi: 10.1007/s40203-020-00073-8. eCollection 2021.
SARS-CoV-2 is a new strain of coronavirus that appeared in China in December 2019, in recent years, great progress has been made in developing new antiviral drugs, and natural products, are important sources of potential and new antiviral drugs. The present study aimed to assess some biologically active compounds present in medicinal plants as potential COVID-19 inhibitors, using molecular docking methods. The Docking study was performed by Molecular Operating Environment software (MOE). About 20 Compounds were screened in this study; these compounds were selected based on classification of their chemical origin and their antiviral activity from literature. These compounds might be used to inhibit COVID-19 infection. The results demonstrate the effectiveness of this screening strategy, which can lead to rapid drug discovery in response to new infectious diseases. The results showed that many compounds isolated from medicinal plants such as; Gallic acid (- 17.45), Quercetin (- 15.81), Naringin (- 14.50), Capsaicin (- 13.90), and Psychotrine (- 13.5) are important sources for novel antiviral drugs targeting COVID-19.
严重急性呼吸综合征冠状病毒2(SARS-CoV-2)是2019年12月在中国出现的一种新型冠状病毒。近年来,新型抗病毒药物的研发取得了很大进展,天然产物是潜在和新型抗病毒药物的重要来源。本研究旨在使用分子对接方法评估药用植物中存在的一些生物活性化合物作为潜在的新型冠状病毒肺炎(COVID-19)抑制剂。对接研究由分子操作环境软件(MOE)进行。本研究筛选了约20种化合物;这些化合物是根据其化学来源分类及其文献中的抗病毒活性选择的。这些化合物可能用于抑制新型冠状病毒肺炎感染。结果证明了这种筛选策略的有效性,这可以导致针对新出现的传染病快速发现药物。结果表明,许多从药用植物中分离出的化合物,如没食子酸(-17.45)、槲皮素(-15.81)、柚皮苷(-14.50)、辣椒素(-13.90)和育亨宾碱(-13.5)是针对新型冠状病毒肺炎的新型抗病毒药物的重要来源。