Academic literature on the topic '3CLpro'

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Journal articles on the topic "3CLpro"

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Ziebuhr, John, Sonja Bayer, Jeff A. Cowley, and Alexander E. Gorbalenya. "The 3C-Like Proteinase of an Invertebrate Nidovirus Links Coronavirus and Potyvirus Homologs." Journal of Virology 77, no. 2 (2003): 1415–26. http://dx.doi.org/10.1128/jvi.77.2.1415-1426.2003.

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ABSTRACT Gill-associated virus (GAV), a positive-stranded RNA virus of prawns, is the prototype of newly recognized taxa (genus Okavirus, family Roniviridae) within the order Nidovirales. In this study, a putative GAV cysteine proteinase (3C-like proteinase [3CLpro]), which is predicted to be the key enzyme involved in processing of the GAV replicase polyprotein precursors, pp1a and pp1ab, was characterized. Comparative sequence analysis indicated that, like its coronavirus homologs, 3CLpro has a three-domain organization and is flanked by hydrophobic domains. The putative 3CLpro domain includ
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Chen, Jianzhong, Jian Wang, Wanchun Yang, Lu Zhao, and Xiaoyan Xu. "Identifying Inhibitor-SARS-CoV2-3CLpro Binding Mechanism Through Molecular Docking, GaMD Simulations, Correlation Network Analysis and MM-GBSA Calculations." Molecules 30, no. 4 (2025): 805. https://doi.org/10.3390/molecules30040805.

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The main protease of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), known as 3CLpro, is crucial in the virus’s life cycle and plays a pivotal role in COVID-19. Understanding how small molecules inhibit 3CLpro’s activity is vital for developing anti-COVID-19 therapeutics. To this end, we employed Gaussian accelerated molecular dynamics (GaMD) simulations to enhance the sampling of 3CLpro conformations and conducted correlation network analysis (CNA) to explore the interactions between different structural domains. Our findings indicate that a CNA-identified node in domain II
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Tsu, Brian V., Rimjhim Agarwal, Nandan S. Gokhale, et al. "Host-specific sensing of coronaviruses and picornaviruses by the CARD8 inflammasome." PLOS Biology 21, no. 6 (2023): e3002144. http://dx.doi.org/10.1371/journal.pbio.3002144.

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Hosts have evolved diverse strategies to respond to microbial infections, including the detection of pathogen-encoded proteases by inflammasome-forming sensors such as NLRP1 and CARD8. Here, we find that the 3CL protease (3CLpro) encoded by diverse coronaviruses, including Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2), cleaves a rapidly evolving region of human CARD8 and activates a robust inflammasome response. CARD8 is required for cell death and the release of pro-inflammatory cytokines during SARS-CoV-2 infection. We further find that natural variation alters CARD8 sensing o
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Rawson, Jonathan M. O., Alice Duchon, Olga A. Nikolaitchik, Vinay K. Pathak, and Wei-Shau Hu. "Development of a Cell-Based Luciferase Complementation Assay for Identification of SARS-CoV-2 3CLpro Inhibitors." Viruses 13, no. 2 (2021): 173. http://dx.doi.org/10.3390/v13020173.

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The 3C-like protease (3CLpro) of SARS-CoV-2 is considered an excellent target for COVID-19 antiviral drug development because it is essential for viral replication and has a cleavage specificity distinct from human proteases. However, drug development for 3CLpro has been hindered by a lack of cell-based reporter assays that can be performed in a BSL-2 setting. Current efforts to identify 3CLpro inhibitors largely rely upon in vitro screening, which fails to account for cell permeability and cytotoxicity of compounds, or assays involving replication-competent virus, which must be performed in a
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Zhang, Jingjing, Yingpei Jiang, Chunxiu Wu, et al. "Development of FRET and Stress Granule Dual-Based System to Screen for Viral 3C Protease Inhibitors." Molecules 28, no. 7 (2023): 3020. http://dx.doi.org/10.3390/molecules28073020.

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3C proteases (3Cpros) of picornaviruses and 3C-like proteases (3CLpros) of coronaviruses and caliciviruses represent a group of structurally and functionally related viral proteases that play pleiotropic roles in supporting the viral life cycle and subverting host antiviral responses. The design and screening for 3C/3CLpro inhibitors may contribute to the development broad-spectrum antiviral therapeutics against viral diseases related to these three families. However, current screening strategies cannot simultaneously assess a compound’s cytotoxicity and its impact on enzymatic activity and pr
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Sanachai, Kamonpan, Tuanjai Somboon, Patcharin Wilasluck, et al. "Identification of repurposing therapeutics toward SARS-CoV-2 main protease by virtual screening." PLOS ONE 17, no. 6 (2022): e0269563. http://dx.doi.org/10.1371/journal.pone.0269563.

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SARS-CoV-2 causes the current global pandemic coronavirus disease 2019. Widely-available effective drugs could be a critical factor in halting the pandemic. The main protease (3CLpro) plays a vital role in viral replication; therefore, it is of great interest to find inhibitors for this enzyme. We applied the combination of virtual screening based on molecular docking derived from the crystal structure of the peptidomimetic inhibitors (N3, 13b, and 11a), and experimental verification revealed FDA-approved drugs that could inhibit the 3CLpro of SARS-CoV-2. Three drugs were selected using the bi
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Glab-ampai, Kittirat, Kanasap Kaewchim, Thanatsaran Saenlom, et al. "Human Superantibodies to 3CLpro Inhibit Replication of SARS-CoV-2 across Variants." International Journal of Molecular Sciences 23, no. 12 (2022): 6587. http://dx.doi.org/10.3390/ijms23126587.

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Broadly effective and safe anti-coronavirus agent is existentially needed. Major protease (3CLpro) is a highly conserved enzyme of betacoronaviruses. The enzyme plays pivotal role in the virus replication cycle. Thus, it is a good target of a broadly effective anti-Betacoronavirus agent. In this study, human single-chain antibodies (HuscFvs) of the SARS-CoV-2 3CLpro were generated using phage display technology. The 3CLpro-bound phages were used to infect Escherichia coli host for the production the 3CLpro-bound HuscFvs. Computerized simulation was used to guide the selection of the phage infe
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Ye, Gang, Xiaowei Wang, Xiaohan Tong, Yuejun Shi, Zhen F. Fu, and Guiqing Peng. "Structural Basis for Inhibiting Porcine Epidemic Diarrhea Virus Replication with the 3C-Like Protease Inhibitor GC376." Viruses 12, no. 2 (2020): 240. http://dx.doi.org/10.3390/v12020240.

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Porcine epidemic diarrhea virus (PEDV), being highly virulent and contagious in piglets, has caused significant damage to the pork industries of many countries worldwide. There are no commercial drugs targeting coronaviruses (CoVs), and few studies on anti-PEDV inhibitors. The coronavirus 3C-like protease (3CLpro) has a conserved structure and catalytic mechanism and plays a key role during viral polyprotein processing, thus serving as an appealing antiviral drug target. Here, we report the anti-PEDV effect of the broad-spectrum inhibitor GC376 (targeting 3Cpro or 3CLpro of viruses in the pico
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Chen, Chia-Nan, Coney P. C. Lin, Kuo-Kuei Huang, et al. "Inhibition of SARS-CoV 3C-like Protease Activity by Theaflavin-3,3'-digallate (TF3)." Evidence-Based Complementary and Alternative Medicine 2, no. 2 (2005): 209–15. http://dx.doi.org/10.1093/ecam/neh081.

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SARS-CoV is the causative agent of severe acute respiratory syndrome (SARS). The virally encoded 3C-like protease (3CLPro) has been presumed critical for the viral replication of SARS-CoV in infected host cells. In this study, we screened a natural product library consisting of 720 compounds for inhibitory activity against 3CLPro. Two compounds in the library were found to be inhibitive: tannic acid (IC50 = 3 µM) and 3-isotheaflavin-3-gallate (TF2B) (IC50 = 7 µM). These two compounds belong to a group of natural polyphenols found in tea. We further investigated the 3CLPro-inhibitory activity o
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Rana, Shiwani, Prateek Kumar, Anchal Sharma, Sanjay Sharma, Rajanish Giri, and Kalyan S. Ghosh. "Identification of Naturally Occurring Antiviral Molecules for SARS-CoV-2 Mitigation." Open COVID Journal 1, no. 1 (2021): 38–46. http://dx.doi.org/10.2174/2666958702101010038.

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Aim: This study aimed to virtually screen the naturally occurring antiviral molecules for SARS-CoV-2 mitigation based on multiple molecular targets using docking and molecular dynamics simulations. Background: The coronavirus catastrophe (COVID-19) caused by a novel strain of coronavirus (SARS-CoV-2) has turned the world upside down at an unprecedented level and has been declared a pandemic by the World Health Organization. It has resulted in a huge number of infections as well as fatalities due to severe lower respiratory tract sickness. Objective: The objective of this study was the identifi
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Dissertations / Theses on the topic "3CLpro"

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Brier, Lucile. "Conception d'une stratégie de découverte de composés antiviraux contre les coronavirus : du criblage à l'optimisation d'inhibiteurs de la protéase 3CL du SARS-CoV-2." Electronic Thesis or Diss., Université de Lille (2022-....), 2022. http://www.theses.fr/2022ULILS031.

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Les coronavirus sont des virus à ARN provoquant des maladies respiratoires, entériques, hépatiques et neurologiques de gravité variable chez différentes espèces, dont l'Homme. Parmi eux, sept peuvent infecter l'Homme. Les souches HCoV-OC43, HCoV-NL63, HCoV-229E et HCoV-HKU1 entraînent des infections légères des voies respiratoires. Le SARS-CoV, le MERS-CoV et le SARS-CoV-2, potentiellement mortels, ont quant à eux été à l'origine de pandémies. Aujourd'hui, le SARS-CoV-2 circule toujours mais la stratégie vaccinale a permis de réduire significativement les risques d'hospitalisation et de décès.
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Book chapters on the topic "3CLpro"

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Zhang, Jiapu. "3C-Like Protease (3CLpro)." In Springer Series in Biophysics. Springer Nature Switzerland, 2023. http://dx.doi.org/10.1007/978-3-031-36773-1_2.

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Zhang, Jiapu. "3CLpro Binding with N3/Lopinavir/Ritonavir." In Springer Series in Biophysics. Springer Nature Switzerland, 2023. http://dx.doi.org/10.1007/978-3-031-36773-1_15.

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Sims, A. C., X. T. Lu, and M. R. Denison. "Expression, Purification, and Activity of Recombinant MHV-A59 3CLpro." In Advances in Experimental Medicine and Biology. Springer US, 1998. http://dx.doi.org/10.1007/978-1-4615-5331-1_17.

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Zhang, Jiapu. "3CLpro Dimer Binding with 7 HIV Inhibitors and Others." In Springer Series in Biophysics. Springer Nature Switzerland, 2023. http://dx.doi.org/10.1007/978-3-031-36773-1_16.

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Hamill, Pamela, Martin Richer, Derek Hudson, Hongyan Xu, and François Jean. "Novel Blue- and Red-Shifted Internally Quenched Fluorogenic Substrates for Continuous Monitoring of SARS-CoV 3CLpro." In Understanding Biology Using Peptides. Springer New York, 2006. http://dx.doi.org/10.1007/978-0-387-26575-9_167.

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Jayakumar, Manju Nidagodu, Jisha Pillai U., Moksha Mehta, Karanveer Singh, Eldhose Iype, and Mainak Dutta. "Identification of Potential Inhibitors Against SARS-CoV-2 3CLpro, PLpro, and RdRP Proteins: An In-Silico Approach." In Advances in Computational Modeling and Simulation. Springer Singapore, 2022. http://dx.doi.org/10.1007/978-981-16-7857-8_8.

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"Peptidomimetic and Peptide-Derived Against 3CLpro from Coronaviruses." In Pharmaceuticals for Targeting Coronaviruses, edited by Paulo Fernando da Silva Santos-Júnior, João Xavier de Araújo-Júnior, and Edeildo Ferreira da Silva-Júnior. BENTHAM SCIENCE PUBLISHERS, 2022. http://dx.doi.org/10.2174/9789815051308122010007.

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Hosseini, Fatemeh, Mehrdad Azin, Hamideh Ofoghi, and Tahereh Alinejad. "Evaluation of Drug Repositioning by Molecular Docking of Pharmaceutical Resources to Identification of Potential SARS-CoV-2 Viral Inhibitors." In Drug Repurposing - Molecular Aspects and Therapeutic Applications [Working Title]. IntechOpen, 2022. http://dx.doi.org/10.5772/intechopen.101395.

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Unfortunately, to date, there is no approved specific antiviral drug treatment against COVID-19. Due to the costly and time-consuming nature of the de novo drug discovery and development process, in recent days, the computational drug repositioning method has been highly regarded for accelerating the drug-discovery process. The selection of drug target molecule(s), preparation of an approved therapeutics agent library, and in silico evaluation of their affinity to the subjected target(s) are the main steps of a molecular docking-based drug repositioning process, which is the most common comput
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Ramos Tayt-Sohn, Victória. "Preparação in silico do alvo molecular 3Clpro do SARS-CoV-2." In Ciência Brasileira: Múltiplos olhares - Medicina, Saúde e Prevenção Volume 02, 2nd ed. Even3 Publicações, 2023. http://dx.doi.org/10.29327/cb-medicina-saude-e-prevencao-2.599858.

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Torawane, Sarika Daulatrao, and Sarika Torwane. "Therapeutic Potential of Medicinal Plants in the Management and Treatment of Severe Acute Respiratory Syndrome 2 (SARS CoV-2 [COVID-19])." In Exploring Complementary and Alternative Medicinal Products in Disease Therapy. IGI Global, 2023. http://dx.doi.org/10.4018/978-1-7998-4120-3.ch010.

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Severe Acute Respiratory Syndrome 2 (SARS CoV-2 [COVID-19]) is a single-strand RNA virus with numerous structural proteins that facilitate entry into the host and assist in virus replication. The rapid transmission of COVID-19 amongst disparate demographics in the world is alarming and of immediate global concern. As of November 2022, COVID-19 mortality and morbidity stood at 6.6 million and 638 million persons, respectively. Literature expounds the promise of medicinal plants in the prevention, management, and treatment of certain diseases and comorbidities. Natural products may find utility
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Conference papers on the topic "3CLpro"

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Mondal, Kushal, and Sowmya Kamath S. "QSAR Classification Models for Predicting 3CLPro-protease Inhibitor Activity." In 2021 IEEE 4th International Conference on Computing, Power and Communication Technologies (GUCON). IEEE, 2021. http://dx.doi.org/10.1109/gucon50781.2021.9573896.

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Фомина, А. Д., та Д. И. Осолодкин. "РАЗРАБОТКА МЕТОДА АНСАМБЛЕВОГО ДОКИНГА ИНГИБИТОРОВ ПРОТЕАЗЫ 3CLPRO SARS-COV-2". У MedChem-Russia 2021. 5-я Российская конференция по медицинской химии с международным участием «МедХим-Россия 2021». Издательство Волгоградского государственного медицинского университета, 2021. http://dx.doi.org/10.19163/medchemrussia2021-2021-322.

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Lin, Xiaoli, Xuan Liu, and Xiaolong Zhang. "Anti-3CLpro Molecular Design Based on the Model Constrained by Specific DTIs." In 2023 IEEE International Conference on Bioinformatics and Biomedicine (BIBM). IEEE, 2023. http://dx.doi.org/10.1109/bibm58861.2023.10385660.

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wang, qiongjiao. "Outcomes of two kinds of 3CLpro inhibitors in delayed treatment of COVID-19 patients with diabetes." In ERS Congress 2024 abstracts. European Respiratory Society, 2024. http://dx.doi.org/10.1183/13993003.congress-2024.pa1520.

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Semenov, V. A., and L. B. Krivdin. "BENCHMARK CALCULATIONS OF 1H AND 13C NMR CHEMICAL SHIFTS IN THE SERIES OF NATURAL CANDIDATES AGAINST 3CLPRO OF SARS COV-2." In MedChem-Russia 2021. 5-я Российская конференция по медицинской химии с международным участием «МедХим-Россия 2021». Издательство Волгоградского государственного медицинского университета, 2021. http://dx.doi.org/10.19163/medchemrussia2021-2021-435.

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Lan, Yuhao. "A Comparative Study of the Inhibitory Effects of Rheum palmatum L. and Isatis Indigotica Root, on 3CLpro from SARS-CoV-2 Using Both Cell-based and Cell-free Assay Models." In ICBET '21: 2021 11th International Conference on Biomedical Engineering and Technology. ACM, 2021. http://dx.doi.org/10.1145/3460238.3461671.

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