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分析植物化学物质作为潜在的 SARS-CoV-2 感染相关蛋白酶抑制剂。

analysis of phytochemicals as potential inhibitors of proteases involved in SARS-CoV-2 infection.

机构信息

Division of Crop Improvement & Biotechnology, ICAR- Indian Institute of Spices Research, Kozhikode, India.

Rice Breeding & Genetics Research Centre, ICAR-Indian Agricultural Research Institute, Aduthurai, India.

出版信息

J Biomol Struct Dyn. 2022 Jul;40(11):5053-5059. doi: 10.1080/07391102.2020.1866669. Epub 2020 Dec 29.

DOI:10.1080/07391102.2020.1866669
PMID:33372574
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7876729/
Abstract

analysis of six phytochemicals, flabelliferin, marmelosin, piperine, ocimin, curcumin and leucoanthocyanin, along with three drug compounds, nelfinavir, remdesivir and hydroxychloroquine, as positive control against drug targets of one SARS-CoV-2 viral protease, COVID-19 main protease (SARS CoV-2 3CL/M), two coronavirus proteases, SARS-CoV main peptidase (SARS CoV M), SARS-CoV main proteinase (SARS CoV 3CL), and one human cellular transmembrane serine proteinase (TMPRSS2), was carried out. Except leucoanthocyanin all other phytochemicals proved better than all three positive control drugs against SARS-CoV main peptidase, whereas, flabelliferin was found to be the potential inhibitor for SARS-CoV main proteinase out performing all the positive control drugs and phytochemicals. Amongst the compounds studied, the best inhibitor for COVID-19 main protease was nelfinavir followed by flabelliferin and ocimin. Flabelliferin was found to the best promising inhibitor of human cellular transmembrane serine proteinase, followed by nelfinavir, curcumin, piperine and marmelosin. The result on the inhibition of human cellular transmembrane serine proteinase against COVID-19 has a stable therapeutic advantage as mutation may quickly occur on viral drug targets. Hence, all the phytochemicals tested in the present study are the potential inhibitors of the all the four drug targets and can form a part of therapeutics against COVID-19 with further clinical studies.Communicated by Ramaswamy H. Sarma.

摘要

对六种植物化学物质(汉防己甲素、马钱素、胡椒碱、莪术醇、姜黄素和莱菔素)以及三种药物化合物(奈非那韦、瑞德西韦和羟氯喹)进行了分析,它们作为阳性对照物,针对一种 SARS-CoV-2 病毒蛋白酶、COVID-19 主要蛋白酶(SARS-CoV-2 3CL/M)、两种冠状病毒蛋白酶、SARS-CoV 主肽酶(SARS-CoV M)、SARS-CoV 主要蛋白酶(SARS-CoV 3CL)和一种人类细胞跨膜丝氨酸蛋白酶(TMPRSS2)进行了药物靶点分析。除了莱菔素外,所有其他植物化学物质对 SARS-CoV 主肽酶的抑制作用都优于三种阳性对照药物,而汉防己甲素被发现是 SARS-CoV 主要蛋白酶的潜在抑制剂,优于所有阳性对照药物和植物化学物质。在所研究的化合物中,对 COVID-19 主要蛋白酶抑制作用最强的是奈非那韦,其次是汉防己甲素和莪术醇。汉防己甲素是 COVID-19 主要蛋白酶的最佳抑制剂,其次是奈非那韦、姜黄素、胡椒碱和马钱素。对 COVID-19 人类细胞跨膜丝氨酸蛋白酶的抑制作用具有稳定的治疗优势,因为病毒药物靶点可能会迅速发生突变。因此,本研究中测试的所有植物化学物质都是所有四个药物靶点的潜在抑制剂,可以作为对抗 COVID-19 的治疗方法的一部分,需要进一步的临床研究。由 Ramaswamy H. Sarma 传达。

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