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寨卡病毒药物发现的 A-Z。

The A-Z of Zika drug discovery.

机构信息

LabMol - Laboratory for Molecular Modeling and Drug Design, Faculdade de Farmacia, Universidade Federal de Goias - UFG, Goiânia, GO 74605-170, Brazil.

Instituto Oswaldo Cruz, Fundação Oswaldo Cruz, Rio de Janeiro, RJ 21040-900, Brazil; Department of Biochemistry, University of Cambridge, 80 Tennis Court Road, Cambridge CB2 1GA, UK.

出版信息

Drug Discov Today. 2018 Nov;23(11):1833-1847. doi: 10.1016/j.drudis.2018.06.014. Epub 2018 Jun 20.

DOI:10.1016/j.drudis.2018.06.014
PMID:29935345
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7108251/
Abstract

Despite the recent outbreak of Zika virus (ZIKV), there are still no approved treatments, and early-stage compounds are probably many years away from approval. A comprehensive A-Z review of the recent advances in ZIKV drug discovery efforts is presented, highlighting drug repositioning and computationally guided compounds, including discovered viral and host cell inhibitors. Promising ZIKV molecular targets are also described and discussed, as well as targets belonging to the host cell, as new opportunities for ZIKV drug discovery. All this knowledge is not only crucial to advancing the fight against the Zika virus and other flaviviruses but also helps us prepare for the next emerging virus outbreak to which we will have to respond.

摘要

尽管寨卡病毒(ZIKV)最近爆发,但目前仍没有批准的治疗方法,早期的化合物可能还需要数年时间才能获得批准。本文全面综述了寨卡病毒药物发现研究的最新进展,重点介绍了药物再利用和计算指导的化合物,包括已发现的病毒和宿主细胞抑制剂。还描述和讨论了有前景的寨卡病毒分子靶标以及宿主细胞靶标,这为寨卡病毒药物发现提供了新的机会。所有这些知识不仅对推进对抗寨卡病毒和其他黄病毒的斗争至关重要,还有助于我们为下一次我们必须应对的新兴病毒爆发做好准备。

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The A-Z of Zika drug discovery.寨卡病毒药物发现的 A-Z。
Drug Discov Today. 2018 Nov;23(11):1833-1847. doi: 10.1016/j.drudis.2018.06.014. Epub 2018 Jun 20.
2
Strategies for Zika drug discovery.寨卡病毒药物发现策略。
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Structure-based discovery of clinically approved drugs as Zika virus NS2B-NS3 protease inhibitors that potently inhibit Zika virus infection in vitro and in vivo.基于结构的已上市药物发现作为 Zika 病毒 NS2B-NS3 蛋白酶抑制剂,在体外和体内强效抑制 Zika 病毒感染。
Antiviral Res. 2017 Sep;145:33-43. doi: 10.1016/j.antiviral.2017.07.007. Epub 2017 Jul 14.
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Drug Repurposing: New Treatments for Zika Virus Infection?药物再利用:治疗寨卡病毒感染的新方法?
Trends Mol Med. 2016 Nov;22(11):919-921. doi: 10.1016/j.molmed.2016.09.006. Epub 2016 Sep 28.
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Current Breakthroughs in Structure-based Design of Synthetic and Natural Sourced Inhibitors Against Zika Viral Targets.基于结构的设计针对寨卡病毒靶点的合成和天然来源抑制剂的最新突破。
Curr Top Med Chem. 2018;18(20):1792-1803. doi: 10.2174/1568026619666181120125525.
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Repurposing drugs for use against Zika virus infection.重新利用药物治疗寨卡病毒感染。
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Therapeutic targets and biological mechanisms of action of curcumin against Zika virus: In silico and in vitro analyses.姜黄素抗寨卡病毒的治疗靶点和作用机制:计算机模拟和体外分析。
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Investigational drugs for the treatment of Zika virus infection: a preclinical and clinical update.用于治疗寨卡病毒感染的研究性药物:临床前和临床最新进展。
Expert Opin Investig Drugs. 2018 Dec;27(12):951-962. doi: 10.1080/13543784.2018.1548609.

引用本文的文献

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Curr Top Med Chem. 2024;24(25):2224-2237. doi: 10.2174/0115680266315388240801053401.
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Insight into the Natural Biomolecules (BMs): Promising Candidates as Zika Virus Inhibitors.洞悉天然生物分子(BMs):有望成为寨卡病毒抑制剂的候选物。
Infect Disord Drug Targets. 2024;24(7):e020224226681. doi: 10.2174/0118715265272414231226092146.
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Evaluating Known Zika Virus NS2B-NS3 Protease Inhibitor Scaffolds via In Silico Screening and Biochemical Assays.

本文引用的文献

1
Structural insight into the Zika virus capsid encapsulating the viral genome.对包裹病毒基因组的寨卡病毒衣壳的结构洞察。
Cell Res. 2018 Apr;28(4):497-499. doi: 10.1038/s41422-018-0007-9. Epub 2018 Feb 21.
2
Crystal Structure of the Capsid Protein from Zika Virus.寨卡病毒衣壳蛋白的晶体结构。
J Mol Biol. 2018 Mar 30;430(7):948-962. doi: 10.1016/j.jmb.2018.02.006. Epub 2018 Feb 15.
3
Small Molecules and Antibodies for Zika Therapy.用于寨卡治疗的小分子和抗体。
通过计算机模拟筛选和生化分析评估已知的寨卡病毒NS2B-NS3蛋白酶抑制剂支架
Pharmaceuticals (Basel). 2023 Sep 19;16(9):1319. doi: 10.3390/ph16091319.
4
Natural Compounds as Non-Nucleoside Inhibitors of Zika Virus Polymerase through Integration of In Silico and In Vitro Approaches.通过整合计算机模拟和体外实验方法,将天然化合物作为寨卡病毒聚合酶的非核苷抑制剂
Pharmaceuticals (Basel). 2022 Nov 30;15(12):1493. doi: 10.3390/ph15121493.
5
Advances in Computational Methods to Discover New NS2B-NS3 Inhibitors Useful Against Dengue and Zika Viruses.发现对登革热和寨卡病毒有效的新型NS2B-NS3抑制剂的计算方法进展
Curr Top Med Chem. 2022;22(29):2435-2462. doi: 10.2174/1568026623666221122121330.
6
Discovery of New Zika Protease and Polymerase Inhibitors through the Open Science Collaboration Project OpenZika.通过开放科学合作项目 OpenZika 发现新的 Zika 蛋白酶和聚合酶抑制剂。
J Chem Inf Model. 2022 Dec 26;62(24):6825-6843. doi: 10.1021/acs.jcim.2c00596. Epub 2022 Oct 14.
7
Zika Virus Inhibitors Based on a 1,3-Disubstituted 1-Pyrazolo[3,4-]pyrimidine-amine Scaffold.基于 1,3-二取代 1-吡唑并[3,4-]嘧啶-胺支架的寨卡病毒抑制剂。
Molecules. 2022 Sep 19;27(18):6109. doi: 10.3390/molecules27186109.
8
Characterization of the RNA-dependent RNA polymerase from Chikungunya virus and discovery of a novel ligand as a potential drug candidate.基孔肯雅病毒依赖 RNA 的 RNA 聚合酶的特性研究及新型配体的发现——一种有潜力的候选药物。
Sci Rep. 2022 Jun 22;12(1):10601. doi: 10.1038/s41598-022-14790-x.
9
Cranberry Pomace Extract Exerts Antiviral Activity against Zika and Dengue Virus at Safe Doses for Adult Zebrafish.蔓越莓渣提取物以安全剂量作用于成年斑马鱼,对寨卡病毒和登革热病毒表现出抗病毒活性。
Viruses. 2022 May 20;14(5):1101. doi: 10.3390/v14051101.
10
Chalcones from Angelica keiskei (ashitaba) inhibit key Zika virus replication proteins.当归属素(明日叶)抑制关键寨卡病毒复制蛋白。
Bioorg Chem. 2022 Mar;120:105649. doi: 10.1016/j.bioorg.2022.105649. Epub 2022 Jan 31.
J Infect Dis. 2017 Dec 16;216(suppl_10):S945-S950. doi: 10.1093/infdis/jix406.
4
A single mutation in the prM protein of Zika virus contributes to fetal microcephaly.寨卡病毒的 prM 蛋白中的单一突变导致胎儿小头畸形。
Science. 2017 Nov 17;358(6365):933-936. doi: 10.1126/science.aam7120. Epub 2017 Sep 28.
5
Cell-line dependent antiviral activity of sofosbuvir against Zika virus.细胞系依赖性索非布韦抗寨卡病毒的抗病毒活性。
Antiviral Res. 2017 Oct;146:161-163. doi: 10.1016/j.antiviral.2017.09.004. Epub 2017 Sep 11.
6
Axl is not an indispensable factor for Zika virus infection in mice.Axl并非小鼠感染寨卡病毒的必需因子。
J Gen Virol. 2017 Aug;98(8):2061-2068. doi: 10.1099/jgv.0.000886. Epub 2017 Aug 8.
7
Structure-based discovery of clinically approved drugs as Zika virus NS2B-NS3 protease inhibitors that potently inhibit Zika virus infection in vitro and in vivo.基于结构的已上市药物发现作为 Zika 病毒 NS2B-NS3 蛋白酶抑制剂,在体外和体内强效抑制 Zika 病毒感染。
Antiviral Res. 2017 Sep;145:33-43. doi: 10.1016/j.antiviral.2017.07.007. Epub 2017 Jul 14.
8
Solution conformations of Zika NS2B-NS3pro and its inhibition by natural products from edible plants.寨卡病毒NS2B-NS3蛋白酶的溶液构象及其受食用植物天然产物的抑制作用
PLoS One. 2017 Jul 10;12(7):e0180632. doi: 10.1371/journal.pone.0180632. eCollection 2017.
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Inhibition of autophagy limits vertical transmission of Zika virus in pregnant mice.自噬抑制限制寨卡病毒在怀孕小鼠中的垂直传播。
J Exp Med. 2017 Aug 7;214(8):2303-2313. doi: 10.1084/jem.20170957. Epub 2017 Jul 10.
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Structural Dynamics of Zika Virus NS2B-NS3 Protease Binding to Dipeptide Inhibitors.寨卡病毒 NS2B-NS3 蛋白酶与二肽抑制剂结合的结构动力学。
Structure. 2017 Aug 1;25(8):1242-1250.e3. doi: 10.1016/j.str.2017.06.006. Epub 2017 Jul 6.