抗 SARS-CoV-2 主蛋白酶的抗病毒药物再利用。
Repurposing an Antiviral Drug against SARS-CoV-2 Main Protease.
机构信息
TIFR Centre for Interdisciplinary Sciences, Tata Institute of Fundamental Research Hyderabad, 36/p Gopanpally, Hyderabad, Telangana, 500046, India.
出版信息
Angew Chem Int Ed Engl. 2021 Oct 25;60(44):23492-23494. doi: 10.1002/anie.202107481. Epub 2021 Sep 21.
Abstract
This article highlights recent pioneering work by Günther et al. towards the discovery of potential repurposed antiviral compounds (peptidomimetic and non-peptidic) against the SARS-CoV-2 main protease (M ). The antiviral activity of the most potent drugs is discussed along with their binding mode to M as observed through X-ray crystallographic screening.
摘要
本文重点介绍 Günther 等人在发现针对 SARS-CoV-2 主蛋白酶（M）的潜在再利用抗病毒化合物（肽模拟物和非肽类）方面的开创性工作。讨论了最有效的药物的抗病毒活性及其通过 X 射线晶体筛选观察到的与 M 的结合模式。
相似文献
1
Repurposing an Antiviral Drug against SARS-CoV-2 Main Protease.抗 SARS-CoV-2 主蛋白酶的抗病毒药物再利用。
Angew Chem Int Ed Engl. 2021 Oct 25;60(44):23492-23494. doi: 10.1002/anie.202107481. Epub 2021 Sep 21.
2
X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.X射线筛选鉴定出新型冠状病毒主要蛋白酶的活性位点和变构抑制剂。
Science. 2021 May 7;372(6542):642-646. doi: 10.1126/science.abf7945. Epub 2021 Apr 2.
3
Drugs Repurposing Using QSAR, Docking and Molecular Dynamics for Possible Inhibitors of the SARS-CoV-2 M Protease.利用定量构效关系、对接和分子动力学对严重急性呼吸综合征冠状病毒2 M蛋白酶的潜在抑制剂进行药物再利用研究
Molecules. 2020 Nov 6;25(21):5172. doi: 10.3390/molecules25215172.
4
Antiviral evaluation of hydroxyethylamine analogs: Inhibitors of SARS-CoV-2 main protease (3CLpro), a virtual screening and simulation approach.羟乙胺类似物的抗病毒评估：针对 SARS-CoV-2 主蛋白酶（3CLpro）的抑制剂，一种虚拟筛选和模拟方法。
Bioorg Med Chem. 2021 Oct 1;47:116393. doi: 10.1016/j.bmc.2021.116393. Epub 2021 Sep 4.
5
Potential SARS-CoV-2 protease M inhibitors: repurposing FDA-approved drugs.潜在的 SARS-CoV-2 蛋白酶 M 抑制剂：重新利用 FDA 批准的药物。
Phys Biol. 2021 Feb 9;18(2):025001. doi: 10.1088/1478-3975/abcb66.
6
Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication.猫冠状病毒药物可抑制新型冠状病毒的主要蛋白酶并阻断病毒复制。
Nat Commun. 2020 Aug 27;11(1):4282. doi: 10.1038/s41467-020-18096-2.
7
Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL).基于结构的 ML300 衍生非共价抑制剂对严重急性呼吸综合征冠状病毒 3CL 蛋白酶（SARS-CoV-2 3CL）的优化。
J Med Chem. 2022 Feb 24;65(4):2880-2904. doi: 10.1021/acs.jmedchem.1c00598. Epub 2021 Aug 4.
8
Nonpeptidic Irreversible Inhibitors of SARS-CoV-2 Main Protease with Potent Antiviral Activity.非肽类 SARS-CoV-2 主蛋白酶不可逆抑制剂具有强大的抗病毒活性。
J Med Chem. 2024 Sep 12;67(17):14986-15011. doi: 10.1021/acs.jmedchem.4c00535. Epub 2024 Aug 15.
9
Uncovering Flexible Active Site Conformations of SARS-CoV-2 3CL Proteases through Protease Pharmacophore Clusters and COVID-19 Drug Repurposing.通过蛋白酶药效团簇和新冠病毒药物再利用揭示新冠病毒3CL蛋白酶的灵活活性位点构象
ACS Nano. 2021 Jan 26;15(1):857-872. doi: 10.1021/acsnano.0c07383. Epub 2020 Dec 29.
10
Identification of non-covalent 3C-like protease inhibitors against severe acute respiratory syndrome coronavirus-2 via virtual screening of a Korean compound library.通过对韩国化合物库进行虚拟筛选，鉴定出针对严重急性呼吸综合征冠状病毒 2 的非共价 3CL 样蛋白酶抑制剂。
Bioorg Med Chem Lett. 2021 Jun 15;42:128067. doi: 10.1016/j.bmcl.2021.128067. Epub 2021 May 3.
引用本文的文献
1
3-chymotrypsin-like protease in SARS-CoV-2.SARS-CoV-2 中的 3-糜蛋白酶样蛋白酶。
Biosci Rep. 2024 Aug 28;44(8). doi: 10.1042/BSR20231395.
2
Advancements in Antiviral Drug Development: Comprehensive Insights into Design Strategies and Mechanisms Targeting Key Viral Proteins.抗病毒药物研发进展：针对关键病毒蛋白的设计策略和作用机制的综合见解。
J Microbiol Biotechnol. 2024 Jul 28;34(7):1376-1384. doi: 10.4014/jmb.2403.03008. Epub 2024 Apr 29.
3
[Not Available].[无可用内容]
Acta Pharm Sin B. 2024 Jan;14(1):87-109. doi: 10.1016/j.apsb.2023.08.004. Epub 2023 Aug 9.
4
Development of Masitinib Derivatives with Enhanced M Ligand Efficiency and Reduced Cytotoxicity.具有增强的M配体效率和降低细胞毒性的马西替尼衍生物的开发。
Molecules. 2023 Sep 15;28(18):6643. doi: 10.3390/molecules28186643.
5
Indole-Based Compounds as Potential Drug Candidates for SARS-CoV-2.吲哚类化合物作为 SARS-CoV-2 的潜在药物候选物。
Molecules. 2023 Sep 13;28(18):6603. doi: 10.3390/molecules28186603.
6
Electrochemical Biosensor for the Detection of SARS-CoV-2 Main Protease and Its Inhibitor Ebselen.用于检测新型冠状病毒主要蛋白酶及其抑制剂依布硒啉的电化学生物传感器
Int J Electrochem Sci. 2022 Apr;17(4):220421. doi: 10.20964/2022.04.19. Epub 2023 Jun 17.
7
Discovery and mechanism of action of Thonzonium bromide from an FDA-approved drug library with potent and broad-spectrum inhibitory activity against main proteases of human coronaviruses.从美国食品和药物管理局批准的药物库中发现并研究了溴托铵的作用机制，其对人类冠状病毒的主要蛋白酶具有强大且广谱的抑制活性。
Bioorg Chem. 2023 Jan;130:106264. doi: 10.1016/j.bioorg.2022.106264. Epub 2022 Nov 9.
8
Label-free Sensing of Main Protease Activity of SARS-CoV-2 with an Aerolysin Nanopore.无标签 SARS-CoV-2 主要蛋白酶活性的 aerolysin 纳米孔检测
Chem Asian J. 2022 Nov 2;17(21):e202200747. doi: 10.1002/asia.202200747. Epub 2022 Sep 20.
9
Fullerenes against COVID-19: Repurposing C and C to Clog the Active Site of SARS-CoV-2 Protease.富勒烯对抗 COVID-19：重新利用 C 和 C 以堵塞 SARS-CoV-2 蛋白酶的活性位点。
Molecules. 2022 Mar 16;27(6):1916. doi: 10.3390/molecules27061916.
10
Colorimetric and Electrochemical Methods for the Detection of SARS-CoV-2 Main Protease by Peptide-Triggered Assembly of Gold Nanoparticles.基于多肽引发金纳米粒子组装的比色和电化学方法用于检测 SARS-CoV-2 主蛋白酶。
Molecules. 2022 Jan 18;27(3):615. doi: 10.3390/molecules27030615.
本文引用的文献
1
Identification of Inhibitors of SARS-CoV-2 3CL-Pro Enzymatic Activity Using a Small Molecule in Vitro Repurposing Screen.利用小分子体外重新利用筛选法鉴定严重急性呼吸综合征冠状病毒2 3C样蛋白酶（SARS-CoV-2 3CL-Pro）酶活性抑制剂
ACS Pharmacol Transl Sci. 2021 Mar 11;4(3):1096-1110. doi: 10.1021/acsptsci.0c00216. eCollection 2021 Jun 11.
2
A cyclic peptide inhibitor of the SARS-CoV-2 main protease.一种新型冠状病毒主要蛋白酶的环肽抑制剂。
Eur J Med Chem. 2021 Oct 5;221:113530. doi: 10.1016/j.ejmech.2021.113530. Epub 2021 May 5.
3
X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.X射线筛选鉴定出新型冠状病毒主要蛋白酶的活性位点和变构抑制剂。
Science. 2021 May 7;372(6542):642-646. doi: 10.1126/science.abf7945. Epub 2021 Apr 2.
4
Pre-clustering data sets using cluster4x improves the signal-to-noise ratio of high-throughput crystallography drug-screening analysis.使用 cluster4x 对数据集进行预聚类可以提高高通量晶体学药物筛选分析的信噪比。
Acta Crystallogr D Struct Biol. 2020 Nov 1;76(Pt 11):1134-1144. doi: 10.1107/S2059798320012619. Epub 2020 Oct 16.
5
Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.SARS-CoV-2 主蛋白酶的晶体学和亲电片段筛选。
Nat Commun. 2020 Oct 7;11(1):5047. doi: 10.1038/s41467-020-18709-w.
6
3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.3C 样蛋白酶抑制剂可阻断冠状病毒在体外的复制，并改善 MERS-CoV 感染小鼠的存活率。
Sci Transl Med. 2020 Aug 19;12(557). doi: 10.1126/scitranslmed.abc5332. Epub 2020 Aug 3.
7
Discovery of SARS-CoV-2 antiviral drugs through large-scale compound repurposing.通过大规模化合物重新利用发现抗 SARS-CoV-2 病毒药物。
Nature. 2020 Oct;586(7827):113-119. doi: 10.1038/s41586-020-2577-1. Epub 2020 Jul 24.
8
Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease.博赛匹韦、GC-376 和钙蛋白酶抑制剂 II、XII 通过靶向病毒主蛋白酶抑制 SARS-CoV-2 病毒复制。
Cell Res. 2020 Aug;30(8):678-692. doi: 10.1038/s41422-020-0356-z. Epub 2020 Jun 15.
9
The sprint to solve coronavirus protein structures - and disarm them with drugs.争分夺秒解析新冠病毒蛋白质结构——并用药物使其失效。
Nature. 2020 May;581(7808):252-255. doi: 10.1038/d41586-020-01444-z.
10
Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.基于结构的针对 SARS-CoV-2 主蛋白酶的抗病毒药物候选物的设计。
Science. 2020 Jun 19;368(6497):1331-1335. doi: 10.1126/science.abb4489. Epub 2020 Apr 22.
Zotero 插件