Cargando…

Screening and identification of potential MERS-CoV papain-like protease (PLpro) inhibitors; Steady-state kinetic and Molecular dynamic studies

MERS-CoV belongs to the coronavirus group. Recent years have seen a rash of coronavirus epidemics. In June 2012, MERS-CoV was discovered in the Kingdom of Saudi Arabia, with 2,591 MERSA cases confirmed by lab tests by the end of August 2022 and 894 deaths at a case-fatality ratio (CFR) of 34.5% docu...

Descripción completa

Detalles Bibliográficos
Autores principales:	Ali Dahhas, Mohammed, M. Alkahtani, Hamad, Malik, Ajamaluddin, Almehizia, Abdulrahman A, Bakheit, Ahmed H., Akber Ansar, Siddique, AlAbdulkarim, Abdullah S., S.Alrasheed, Lamees, Alsenaidy, Mohammad A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier 2023
Materias:	Original Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9756750/ https://www.ncbi.nlm.nih.gov/pubmed/36540698 http://dx.doi.org/10.1016/j.jsps.2022.12.007

Ejemplares similares

MERS‐CoV papain-like protease (PL(pro)): expression, purification, and spectroscopic/thermodynamic characterization
por: Malik, Ajamaluddin, et al.
Publicado: (2017)

Targeting Transcriptional CDKs 7, 8, and 9 with Anilinopyrimidine Derivatives as Anticancer Agents: Design, Synthesis, Biological Evaluation and In Silico Studies
por: Eskandrani, Razan, et al.
Publicado: (2023)

Mechanism and inhibition of the papain‐like protease, PLpro, of SARS‐CoV‐2
por: Klemm, Theresa, et al.
Publicado: (2020)

Genetically Encoded Fluorescent Sensors for SARS-CoV-2 Papain-like Protease PLpro
por: Sokolinskaya, Elena L., et al.
Publicado: (2022)

Identification of SARS‐CoV‐2 Papain‐like Protease (PLpro) Inhibitors Using Combined Computational Approach
por: Sencanski, Milan, et al.
Publicado: (2022)

Association between Mutations in Papain-like Protease (PLpro) of SARS-CoV-2 with COVID-19 Clinical Outcomes
por: Tan, Jinlin, et al.
Publicado: (2022)

Inhibitory effect of phytochemicals towards SARS-CoV-2 papain like protease (PLpro) proteolytic and deubiquitinase activity
por: Kawall, Anasha, et al.
Publicado: (2023)

Identification of Doxorubicin as Repurposing Inhibitory Drug for MERS-CoV PLpro
por: Alaofi, Ahmed L., et al.
Publicado: (2022)

SARS-COV-2 Coronavirus Papain-like Protease PLpro as an Antiviral Target for Inhibitors of Active Site and Protein–Protein Interactions
por: Ershov, P. V., et al.
Publicado: (2023)

Protease targeted COVID-19 drug discovery and its challenges: Insight into viral main protease (Mpro) and papain-like protease (PLpro) inhibitors
por: Amin, Sk. Abdul, et al.
Publicado: (2021)

Structural and functional characterization of MERS coronavirus papain-like protease
por: Lin, Min-Han, et al.
Publicado: (2014)

Role of site-directed mutagenesis and adjuvants in the stability and potency of anthrax protective antigen
por: Dahhas, Mohammed Ali, et al.
Publicado: (2022)

Exploring naphthyl derivatives as SARS-CoV papain-like protease (PLpro) inhibitors and its implications in COVID-19 drug discovery
por: Amin, Sk. Abdul, et al.
Publicado: (2021)

Aloin isoforms (A and B) selectively inhibits proteolytic and deubiquitinating activity of papain like protease (PLpro) of SARS-CoV-2 in vitro
por: Lewis, Devin S. M., et al.
Publicado: (2022)

Mercapto-pyrimidines are reversible covalent inhibitors of the papain-like protease (PLpro) and inhibit SARS-CoV-2 (SCoV-2) replication
por: Bajaj, Teena, et al.
Publicado: (2023)

Molecular docking, pharmacophore based virtual screening and molecular dynamics studies towards the identification of potential leads for the management of H. pylori
por: Damale, Manoj G., et al.
Publicado: (2019)

Mechanistic interaction study of 5,6-Dichloro-2-[2-(pyridin-2-yl)ethyl]isoindoline-1,3-dione with bovine serum albumin by spectroscopic and molecular docking approaches
por: Alanazi, Mohammed M., et al.
Publicado: (2019)

Validated liquid chromatography tandem mass spectrometry for simultaneous quantification of foretinib and lapatinib, and application to metabolic stability investigation
por: Alanazi, Mohammed M., et al.
Publicado: (2019)

Decoupling deISGylating and deubiquitinating activities of the MERS virus papain-like protease
por: Clasman, Jozlyn R., et al.
Publicado: (2020)

MERS-CoV papain-like protease has deISGylating and deubiquitinating activities
por: Mielech, Anna M., et al.
Publicado: (2014)

Identification of novel human USP2 inhibitor and its putative role in treatment of COVID-19 by inhibiting SARS-CoV-2 papain-like (PLpro) protease
por: Mirza, Muhammad Usman, et al.
Publicado: (2020)

Disulfiram can inhibit MERS and SARS coronavirus papain-like proteases via different modes
por: Lin, Min-Han, et al.
Publicado: (2018)

Computational study of the binding orientation and affinity of noncovalent inhibitors of the papain-like protease (PLpro) from SARS-CoV-1 considering the protein flexibility by using molecular dynamics and cross-docking
por: Castillo-Campos, Luis, et al.
Publicado: (2023)

Optimization of expression and purification of HSPA6 protein from Camelus dromedarius in E. coli
por: Malik, Ajamaluddin, et al.
Publicado: (2016)

Selection of SARS-CoV-2 main protease inhibitor using structure-based virtual screening
por: Hakami, Abdulrahim R, et al.
Publicado: (2021)

Crystal structure of the papain-like protease of MERS coronavirus reveals unusual, potentially druggable active-site features
por: Lei, Jian, et al.
Publicado: (2014)

Inhibitors of SARS-CoV-2 PLpro
por: Calleja, Dale J., et al.
Publicado: (2022)

Synthesis, Cytotoxic Evaluation, and Structure-Activity Relationship of Substituted Quinazolinones as Cyclin-Dependent Kinase 9 Inhibitors
por: Alkahtani, Hamad M., et al.
Publicado: (2022)

Point-of-care paper-based analytical device for potentiometric detection of myoglobin as a cardiovascular disease biomarker
por: Almehizia, Abdulrahman A., et al.
Publicado: (2023)

Meticulous assessment of natural compounds from NPASS database for identifying analogue of GRL0617, the only known inhibitor for SARS-CoV2 papain-like protease (PLpro) using rigorous computational workflow
por: Parmar, Paritosh, et al.
Publicado: (2021)

Inhibitor Recognition Specificity of MERS-CoV Papain-like Protease May Differ from That of SARS-CoV
por: Lee, Hyun, et al.
Publicado: (2015)

Integrated Structural, Functional, and ADMET Analysis of 2-Methoxy-4,6-Diphenylnicotinonitrile: The Convergence of X-ray Diffraction, Molecular Docking, Dynamic Simulations, and Advanced Computational Insights
por: Bakheit, Ahmed H., et al.
Publicado: (2023)

Toxicity Study and Binding Analysis of Newly Synthesized Antifungal N-(4-aryl/cyclohexyl)-2-(pyridine-4-yl carbonyl) hydrazinecarbothioamide Derivative with Bovine Serum Albumin
por: Wani, Tanveer A., et al.
Publicado: (2023)

Identifying structural–functional analogue of GRL0617, the only well-established inhibitor for papain-like protease (PLpro) of SARS-CoV2 from the pool of fungal metabolites using docking and molecular dynamics simulation
por: Rao, Priyashi, et al.
Publicado: (2021)

THE REMOVAL OF CARTILAGE MATRIX, IN VIVO, BY PAPAIN : IDENTIFICATION OF CRYSTALLINE PAPAIN PROTEASE AS THE CAUSE OF THE PHENOMENON
por: McCluskey, Robert T., et al.
Publicado: (1958)

Assessment of Proton-Coupled Conformational Dynamics of SARS and MERS Coronavirus Papain-like Proteases: Implication for Designing Broad-Spectrum Antiviral Inhibitors
por: Henderson, Jack A., et al.
Publicado: (2020)

Assessment of proton-coupled conformational dynamics of SARS and MERS coronavirus papain-like proteases: Implication for designing broad-spectrum antiviral inhibitors
por: Henderson, Jack A., et al.
Publicado: (2020)

SARS-CoV-2: the many pros of targeting PLpro
por: McClain, Christopher B., et al.
Publicado: (2020)

6-Thioguanine blocks SARS-CoV-2 replication by inhibition of PLpro protease activities
por: Swaim, Caleb D., et al.
Publicado: (2020)

The application of in silico experimental model in the assessment of ciprofloxacin and levofloxacin interaction with main SARS-CoV-2 targets: S-, E- and TMPRSS2 proteins, RNA-dependent RNA polymerase and papain-like protease (PLpro)—preliminary molecular docking analysis
por: Marciniec, Krzysztof, et al.
Publicado: (2021)

Cannot write session to /tmp/vufind_sessions/sess_5chbv438fg5ik6pg151e99ughh