作为2019冠状病毒病潜在植物疗法的L：计算机模拟研究的小型综述
L as a potential phytotherapy for coronavirus disease 2019: A mini review of in silico studies.
作者信息
Koshak Dr Abdulrahman E, Koshak Prof Emad A
机构信息
Department of Natural Products & Alternative Medicine, Faculty of Pharmacy, King Abdulaziz University, Jeddah, Saudi Arabia.
Division of Allergy and Clinical Immunology, Department of Internal Medicine, Faculty of Medicine, King Abdulaziz University, Jeddah, Saudi Arabia.
出版信息
Curr Ther Res Clin Exp. 2020;93:100602. doi: 10.1016/j.curtheres.2020.100602. Epub 2020 Aug 25.
BACKGROUND
Coronaviruses are responsible for several human diseases, such as the infectious novel coronavirus disease 2019 (COVID-19), which is caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). is a natural food supplement with a known safety profile that may provide a wealth of documented antiviral compounds.
OBJECTIVE
To explore the studies supporting the potential for hitting SARS-CoV-2 targets.
METHODS
A literature search for published or preprint in silico studies between 1990 and 2020 in electronic databases (PubMed, Science Direct, Scopus, and Google Scholar) was performed for the terms Nigella sativa, , and .
RESULTS
At least 8 in silico studies have shown that some compounds of , including nigelledine, α-hederin, hederagenin, thymohydroquinone, and thymoquinone, had high to moderate affinity with SARS-CoV-2 enzymes and proteins. These compounds may potentially inhibit SARS-CoV-2 replication and .
CONCLUSIONS
These preliminary data of in silico studies propose as a potential phytotherapy candidate for COVID-19. Further preclinical experimental evidence is required followed by a Phase I clinical trial. (. 2020; 81:XXX-XXX).
背景
冠状病毒可引发多种人类疾病，如由严重急性呼吸综合征冠状病毒2（SARS-CoV-2）引起的新型传染性冠状病毒病2019（COVID-19）。[具体物质名称未给出]是一种具有已知安全特性的天然食品补充剂，可能含有大量已记录的抗病毒化合物。
目的
探讨支持[具体物质名称未给出]作用于SARS-CoV-2靶点潜力的研究。
方法
在电子数据库（PubMed、Science Direct、Scopus和谷歌学术）中对1990年至2020年期间发表的或预印本的计算机模拟研究进行文献检索，检索词为黑种草、[具体物质名称未给出]和[具体物质名称未给出]。
结果
至少8项计算机模拟研究表明，[具体物质名称未给出]的一些化合物，包括黑种草定、α-常春藤皂苷元、常春藤皂苷元、百里氢醌和百里醌，与SARS-CoV-2酶和蛋白质具有高至中等亲和力。这些化合物可能潜在地抑制SARS-CoV-2复制和[具体内容未给出]。
结论
这些计算机模拟研究的初步数据表明[具体物质名称未给出]可能是COVID-19的一种潜在植物疗法候选药物。需要进一步的临床前实验证据，随后进行I期临床试验。（[期刊名称未给出]. 2020; 81:XXX-XXX）
Zotero 插件