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绿茶如何成为一种治疗 Covid-19 的药物

已有 1160 次阅读 2021-6-6 21:54 |个人分类:新药动态|系统分类:海外观察

绿茶如何成为一种治疗Covid-19的药物

诸平

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据英国斯旺西大学(Swansea University) 202165日提供的消息,随着印度继续受到新冠疫情大流行的蹂躏,斯旺西大学的一位学者正在研究绿茶如何产生一种能够治疗 Covid-19 的药物。

在担任斯旺西大学医学院(Swansea University Medical School)目前的职务之前,Suresh Mohankumar 博士在 JSS 药学院(JSS College of Pharmacy)、乌蒂JSS 高等教育和研究学院(JSS Academy of Higher Education and Research in Ooty)期间与印度的同事进行了这项研究。

他说:大自然最古老的药房一直是潜在新药的宝藏,我们质疑这些化合物中是否有任何一种可以帮助我们对抗 Covid-19 大流行?我们使用人工智能辅助的计算机程序筛选和分类了一个已知对其他冠状病毒具有活性的天然化合物库。我们的研究结果表明,绿茶中的一种化合物可以对抗 Covid-19 背后的冠状病毒。相关研究结果于202147日已经在RSC Advances杂志网站发表—— Jubie Selvaraj, Shyam Sundar P, Logesh Rajan, Divakar Selvaraj, Dhanabal Palanisamy, Krishnan Namboori PK, Suresh Kumar Mohankumar. Identification of (2R,3R)-2-(3,4-dihydroxyphenyl)chroman-3-yl-3,4,5-trihydroxy benzoate as multiple inhibitors of SARS-CoV-2 targets; a systematic molecular modeling approachRSC Advances, 2021, 11: 13051-13060. DOI: 10.1039/D1RA01603B. First published: 07 Apr 2021.

https://pubs.rsc.org/en/content/articlepdf/2021/ra/d1ra01603b

此项研究成果已被在线期刊RSC Advances重点关注,并被收录在其编辑和审稿人选择的著名热门文集(prestigious hot articles collection)中。

此项研究论文的通讯作者、副教授Suresh Kumar Mohankumar强调,该研究仍处于早期阶段,距离任何类型的临床应用还有很长的路要走。我们的模型预测最活跃的化合物是没食子酰儿茶素(gallocatechin),它存在于绿茶中,很容易获得,而且价格合理。目前需要进一步调查,以证明它在预防或治疗Covid-19方面是否能够被证明是有效和安全的。这仍然是一个初步步骤,但它可能是应对毁灭性 Covid-19 大流行的潜在先导化合物线索。”

Suresh Kumar Mohankumar博士在世界各地从事药学教育、研究和管理工作超过 18 年,最近搬到斯旺西加入其新的 MPharm 计划(MPharm programme)。

药学主管、Andrew Morris 教授说:“这是一项引人入胜的研究,表明天然产物仍然是抗击传染病的先导化合物的重要来源。我也很高兴看到Suresh Kumar Mohankumar博士加入了药学团队,这种国际合作研究仍在继续。

Suresh Kumar Mohankumar博士补充说,他现在期待看到如何开展这项工作:现在需要进行适当的临床前和临床研究,我们欢迎潜在的合作者和合作伙伴帮助推进这项工作。上述介绍仅供参考,欲了解更多信息,敬请注意浏览原文或者相关报道

绿茶中的主要抗氧化剂可能会增加自然抗癌蛋白的水平Major antioxidant in green tea may increase levels of natural anti-cancer protein

绿茶化合物能否对抗 SARS-CoV-2?(Could a green tea compound combat SARS-CoV-2?

甘草根中的甘草甜素通过抑制主要蛋白酶 Mpro 在体外消解SARS-CoV-2Glycyrrhizin in licorice root neutralizes SARS-CoV-2 in vitro by inhibiting the main protease Mpro

Abstract

Coronavirus disease of 2019 (COVID-19) is a zoonotic disease caused by a new severe acute respiratory syndrome (SARS-CoV-2) which has quickly resulted in a pandemic. Recent anti-COVID-19 drug discoveries are leaning towards repurposing phytochemicals which have been previously reported for SARS and MERS-CoV outbreaks. However, they have been either virtually screened or tested so far against mono targets and the potent derivatives of virtually sorted lead molecules remain elusive. We aimed to identify the phytochemicals having potentials to inhibit SARS CoV-2 infection via multiple targets. The selected 132 phytochemicals were virtually screened using a structure based in silico technique against main protease (Mpro) which is a potential target of SARS CoV-2. Six compounds were selected based on the LibDock scores and further subjected to induced fit docking using the CDOCKER module of DS. Two compounds namely cinnamtannin-B and gallocatechin gallate were identified as top HITS against main protease (Mpro). Based on the Lipinski rule of five (L-ROF) and synthetic feasibility, gallocatechin gallate was taken for our further studies. Six analogues of gallocatechin gallate were screened against the next important targets such as RNA-dependent RNA polymerase (RdRp), angiotensin converting enzyme-2 (ACE2), transmembrane protease serine -2 (TMPRSS2) and interleukin6 (IL-6) along with main protease (Mpro). Our molecular docking results reveal that a gallocatechin analogue (GC-2) namely (2R,3R)-2-(3,4-dihydroxyphenyl)chroman-3-yl-3,4,5-trihydroxy benzoate has shown potential to inhibit multiple targets of SARS CoV-2. Further, the molecular dynamics study was carried out to ascertain the stability of the GC-2 and RdRp complex.




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