• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利：CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法，用中文像聊天一样搜索，搜遍4000万医学文献。AI智能推荐，让科研检索更轻松。

立即免费搜索

文件翻译

保留排版，准确专业，支持PDF/Word/PPT等文件格式，支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述，25分钟生成高质量综述，智能提取关键信息，辅助科研写作。

立即免费体验

评估 Xa 抑制剂作为 SARS-CoV-2 Mpro 蛋白酶潜在抑制剂的研究。

Evaluation of Xa inhibitors as potential inhibitors of the SARS-CoV-2 Mpro protease.

机构信息

Tunneling Group, Biotechnology Centre, Silesian University of Technology, Gliwice, Poland.

Department of Pharmaceutical Sciences, Computational Pharmacy, University of Basel, Basel, Switzerland.

出版信息

PLoS One. 2022 Jan 11;17(1):e0262482. doi: 10.1371/journal.pone.0262482. eCollection 2022.

DOI:10.1371/journal.pone.0262482
PMID:35015795
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8752003/
Abstract

Based on previous large-scale in silico screening several factor Xa inhibitors were proposed to potentially inhibit SARS-CoV-2 Mpro. In addition to their known anticoagulants activity this potential inhibition could have an additional therapeutic effect on patients with COVID-19 disease. In this study we examined the binding of the Apixaban, Betrixaban and Rivaroxaban to the SARS-CoV-2 Mpro with the use of the MicroScale Thermophoresis technique. Our results indicate that the experimentally measured binding affinity is weak and the therapeutic effect due to the SARS-CoV-2 Mpro inhibition is rather negligible.

摘要

基于先前的大规模计算机筛选，有几种因子 Xa 抑制剂被提出可能抑制 SARS-CoV-2 Mpro。除了它们已知的抗凝活性外，这种潜在的抑制作用可能对 COVID-19 疾病患者有额外的治疗效果。在这项研究中，我们使用微量热泳动技术研究了阿哌沙班、贝曲沙班和利伐沙班与 SARS-CoV-2 Mpro 的结合。我们的结果表明，实验测量的结合亲和力较弱，由于 SARS-CoV-2 Mpro 抑制作用产生的治疗效果相当微不足道。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/48a2/8752003/51aa785f8db7/pone.0262482.g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/48a2/8752003/51aa785f8db7/pone.0262482.g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/48a2/8752003/51aa785f8db7/pone.0262482.g001.jpg

相似文献

1
Evaluation of Xa inhibitors as potential inhibitors of the SARS-CoV-2 Mpro protease.评估 Xa 抑制剂作为 SARS-CoV-2 Mpro 蛋白酶潜在抑制剂的研究。
PLoS One. 2022 Jan 11;17(1):e0262482. doi: 10.1371/journal.pone.0262482. eCollection 2022.
2
Chromogenic anti-FXa assay calibrated with low molecular weight heparin in patients treated with rivaroxaban and apixaban: possibilities and limitations.发色底物法抗 FXa 检测在利伐沙班和阿哌沙班治疗患者中经低分子肝素校准：可能性和局限性。
Biochem Med (Zagreb). 2020 Feb 15;30(1):010702. doi: 10.11613/BM.2020.010702. Epub 2019 Dec 15.
3
Comparison of the effect of the anti-Xa direct oral anticoagulants apixaban, edoxaban, and rivaroxaban on coagulation assays.抗Xa因子直接口服抗凝剂阿哌沙班、依度沙班和利伐沙班对凝血检测影响的比较。
Int J Lab Hematol. 2016 Oct;38(5):505-13. doi: 10.1111/ijlh.12528. Epub 2016 Jun 6.
4
An unexpected dynamic binding mode between coagulation factor X and Rivaroxaban reveals importance of flexibility in drug binding.凝血因子 X 与利伐沙班之间意想不到的动态结合模式揭示了药物结合中灵活性的重要性。
Chem Biol Drug Des. 2019 Sep;94(3):1664-1671. doi: 10.1111/cbdd.13568. Epub 2019 Jun 23.
5
1,2,4 triazolo[1,5-a] pyrimidin-7-ones as novel SARS-CoV-2 Main protease inhibitors: In silico screening and molecular dynamics simulation of potential COVID-19 drug candidates.1,2,4-三唑并[1,5-a]嘧啶-7-酮类化合物作为新型 SARS-CoV-2 主蛋白酶抑制剂：用于潜在 COVID-19 候选药物的计算机筛选和分子动力学模拟。
Biophys Chem. 2020 Dec;267:106478. doi: 10.1016/j.bpc.2020.106478. Epub 2020 Sep 22.
6
Identification of potent COVID-19 main protease inhibitors by loading of favipiravir on MgO and ZnO nanoclusters: an strategy for COVID-19 treatment.通过将法匹拉韦加载到 MgO 和 ZnO 纳米团簇上来鉴定有效的 COVID-19 主蛋白酶抑制剂：一种治疗 COVID-19 的策略。
J Biomol Struct Dyn. 2023;41(21):11437-11449. doi: 10.1080/07391102.2022.2162967. Epub 2023 Jan 2.
7
Evaluation of green tea polyphenols as novel corona virus (SARS CoV-2) main protease (Mpro) inhibitors - an docking and molecular dynamics simulation study.评估绿茶多酚作为新型冠状病毒（SARS-CoV-2）主蛋白酶（Mpro）抑制剂的研究 - 对接和分子动力学模拟。
J Biomol Struct Dyn. 2021 Aug;39(12):4362-4374. doi: 10.1080/07391102.2020.1779818. Epub 2020 Jun 22.
8
Discovery of a "Cocktail" of Potential SARS-COV-2 Main Protease Inhibitors through Virtual Screening of Known Chemical Components of Vitex negundo L. ("Lagundi").通过对牡荆（“Lagundi”）已知化学成分的虚拟筛选发现潜在 SARS-COV-2 主蛋白酶抑制剂“鸡尾酒”。
Med Chem. 2022;18(3):364-381. doi: 10.2174/1573406417666210618132003.
9
In Silico Mining of Terpenes from Red-Sea Invertebrates for SARS-CoV-2 Main Protease (M) Inhibitors.基于红海中无脊椎动物的萜类化合物的计算机挖掘，寻找 SARS-CoV-2 主蛋白酶（M）抑制剂。
Molecules. 2021 Apr 5;26(7):2082. doi: 10.3390/molecules26072082.
10
Targeting SARS-CoV-2 main protease: structure based virtual screening, in silico ADMET studies and molecular dynamics simulation for identification of potential inhibitors.靶向 SARS-CoV-2 主蛋白酶：基于结构的虚拟筛选、计算机 ADMET 研究和分子动力学模拟，以鉴定潜在的抑制剂。
J Biomol Struct Dyn. 2022 May;40(8):3609-3625. doi: 10.1080/07391102.2020.1848636. Epub 2020 Nov 23.

引用本文的文献

1
Identification of Drug Combination Therapies for SARS-CoV-2: A Molecular Dynamics Simulations Approach.基于分子动力学模拟的 SARS-CoV-2 药物联合疗法的鉴定。
Drug Des Devel Ther. 2022 Sep 9;16:2995-3013. doi: 10.2147/DDDT.S366423. eCollection 2022.
2
Fibrinogen, Fibrin, and Fibrin Degradation Products in COVID-19.新型冠状病毒病中的纤维蛋白原、纤维蛋白和纤维蛋白降解产物。
Curr Drug Targets. 2022;23(17):1593-1602. doi: 10.2174/1389450123666220826162900.
3
Apixaban, an orally available anticoagulant, inhibits SARS-CoV-2 replication and its major protease in a non-competitive way.

本文引用的文献

1
Apixaban, an orally available anticoagulant, inhibits SARS-CoV-2 replication and its major protease in a non-competitive way.阿哌沙班是一种口服抗凝剂，以非竞争性方式抑制严重急性呼吸综合征冠状病毒2（SARS-CoV-2）的复制及其主要蛋白酶。
J Mol Cell Biol. 2022 Sep 21;14(6). doi: 10.1093/jmcb/mjac039.
2
Anticoagulation is the answer in treating noncritical COVID-19 patients.抗凝治疗是治疗非重症新冠患者的应对方法。
Open Med (Wars). 2021 Oct 5;16(1):1486-1492. doi: 10.1515/med-2021-0354. eCollection 2021.
3
Effect of dexamethasone on direct Xa-inhibitor oral anticoagulant plasma levels in patients with COVID-19.
阿哌沙班是一种口服抗凝剂，以非竞争性方式抑制严重急性呼吸综合征冠状病毒2（SARS-CoV-2）的复制及其主要蛋白酶。
J Mol Cell Biol. 2022 Sep 21;14(6). doi: 10.1093/jmcb/mjac039.
地塞米松对新型冠状病毒肺炎患者直接Xa因子抑制剂口服抗凝药血浆水平的影响
Thromb Res. 2021 Sep;205:106-109. doi: 10.1016/j.thromres.2021.07.008. Epub 2021 Jul 14.
4
Computational Selectivity Assessment of Protease Inhibitors against SARS-CoV-2.计算评估蛋白酶抑制剂对 SARS-CoV-2 的选择性。
Int J Mol Sci. 2021 Feb 19;22(4):2065. doi: 10.3390/ijms22042065.
5
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.
6
Crystallographic structure of wild-type SARS-CoV-2 main protease acyl-enzyme intermediate with physiological C-terminal autoprocessing site.野生型 SARS-CoV-2 主蛋白酶酰基酶中间产物与生理 C 末端自加工位点的晶体结构。
Nat Commun. 2020 Nov 18;11(1):5877. doi: 10.1038/s41467-020-19662-4.
7
Anticoagulation in COVID-19: Effect of Enoxaparin, Heparin, and Apixaban on Mortality.COVID-19 中的抗凝治疗：依诺肝素、肝素和阿哌沙班对死亡率的影响。
Thromb Haemost. 2020 Dec;120(12):1691-1699. doi: 10.1055/s-0040-1720978. Epub 2020 Nov 13.
8
COVID-19-Associated Coagulopathy and Inflammatory Response: What Do We Know Already and What Are the Knowledge Gaps?COVID-19 相关凝血功能障碍与炎症反应：我们已经了解了什么，还有哪些知识空白？
Anesth Analg. 2020 Nov;131(5):1324-1333. doi: 10.1213/ANE.0000000000005147.
9
Apixaban and rivaroxaban anti-Xa level utilization and associated bleeding events within an academic health system.在学术医疗体系中，评估利伐沙班和阿哌沙班抗-Xa 水平的利用情况及相关出血事件。
Thromb Res. 2020 Dec;196:276-282. doi: 10.1016/j.thromres.2020.09.002. Epub 2020 Sep 6.
10
Potential Therapeutic Roles for Direct Factor Xa Inhibitors in Coronavirus Infections.直接因子 Xa 抑制剂在冠状病毒感染中的潜在治疗作用。
Am J Cardiovasc Drugs. 2020 Dec;20(6):525-533. doi: 10.1007/s40256-020-00438-6.