Cargando…

Exploring the therapeutic nature of limonoids and triterpenoids against SARS-CoV-2 by targeting nsp13, nsp14, and nsp15 through molecular docking and dynamics simulations

BACKGROUND AND AIM: The ongoing global pandemic due to SARS-CoV-2 caused a medical emergency. Since December 2019, the COVID-19 disease is spread across the globe through physical contact and respiratory droplets. Coronavirus caused a severe effect on the human immune system where some of the non-st...

Descripción completa

Detalles Bibliográficos
Autores principales:	Vardhan, Seshu, Sahoo, Suban K.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8666293/ https://www.ncbi.nlm.nih.gov/pubmed/34926189 http://dx.doi.org/10.1016/j.jtcme.2021.12.002

Ejemplares similares

In silico ADMET and molecular docking study on searching potential inhibitors from limonoids and triterpenoids for COVID-19
por: Vardhan, Seshu, et al.
Publicado: (2020)

SARS-CoV-2 nsp13, nsp14, nsp15 and orf6 function as potent interferon antagonists
por: Yuen, Chun-Kit, et al.
Publicado: (2020)

Multi-targeting approach for nsp3, nsp9, nsp12 and nsp15 proteins of SARS-CoV-2 by Diosmin as illustrated by molecular docking and molecular dynamics simulation methodologies
por: Kumar, Sumit, et al.
Publicado: (2021)

Coronavirus NSP6 protein (nsp6)
Publicado: (2014)

Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16
por: Kozielski, Frank, et al.
Publicado: (2021)

The NSP14/NSP10 RNA repair complex as a Pan-coronavirus therapeutic target
por: Rona, Gergely, et al.
Publicado: (2021)

Effects of Mutagenesis of Murine Hepatitis Virus NSP1 and NSP14 on Replication in Culture
por: Eckerle, Lance D., et al.
Publicado: (2006)

Involvement of PRRSV NSP3 and NSP5 in the autophagy process
por: Zhang, Wei, et al.
Publicado: (2019)

Structure of the SARS-CoV nsp12 polymerase bound to nsp7 and nsp8 co-factors
por: Kirchdoerfer, Robert N., et al.
Publicado: (2019)

Transient and stabilized complexes of Nsp7, Nsp8, and Nsp12 in SARS-CoV-2 replication
por: Wilamowski, Mateusz, et al.
Publicado: (2021)

Crystallization and diffraction analysis of the SARS coronavirus nsp10–nsp16 complex
por: Debarnot, Claire, et al.
Publicado: (2011)

Immunogenic and antigenic analysis of recombinant NSP1 and NSP11 of PRRS virus
por: Contreras‐Luna, María Josefina, et al.
Publicado: (2022)

Nutrient regulation of lipochitooligosaccharide recognition in plants via NSP1 and NSP2
por: Li, Xin-Ran, et al.
Publicado: (2022)

Structural and Biochemical Characterization of the nsp12-nsp7-nsp8 Core Polymerase Complex from SARS-CoV-2
por: Peng, Qi, et al.
Publicado: (2020)

Comparison of Binding Site of Remdesivir and Its Metabolites with NSP12-NSP7-NSP8, and NSP3 of SARS CoV-2 Virus and Alternative Potential Drugs for COVID-19 Treatment
por: Jung, Lindsey S, et al.
Publicado: (2020)

Screening of FDA-approved compound library identifies potential small-molecule inhibitors of SARS-CoV-2 non-structural proteins NSP1, NSP4, NSP6 and NSP13: molecular modeling and molecular dynamics studies
por: Sundar, Shobana, et al.
Publicado: (2021)

Activation of the SARS-CoV-2 NSP14 3′–5′ exoribonuclease by NSP10 and response to antiviral inhibitors
por: Riccio, Amanda A., et al.
Publicado: (2021)

Discovery of SARS-CoV-2 Nsp14 and Nsp16 Methyltransferase Inhibitors by High-Throughput Virtual Screening
por: Bobrovs, Raitis, et al.
Publicado: (2021)

Substrate Specificity of SARS-CoV-2 Nsp10-Nsp16 Methyltransferase
por: Benoni, Roberto, et al.
Publicado: (2021)

Scalable Inhibitors of the Nsp3–Nsp4 Coupling in SARS-CoV-2
por: Azizogli, Abdul-Rahman, et al.
Publicado: (2023)

In silico structure modelling of SARS-CoV-2 Nsp13 helicase and Nsp14 and repurposing of FDA approved antiviral drugs as dual inhibitors
por: Gurung, Arun Bahadur
Publicado: (2020)

Exoribonuclease in nonstructural protein 14 (nsp14-ExoN)
Publicado: (2013)

Identifying SARS-CoV-2 antiviral compounds by screening for small molecule inhibitors of nsp14/nsp10 exoribonuclease
por: Canal, Berta, et al.
Publicado: (2021)

Refolding of lid subdomain of SARS-CoV-2 nsp14 upon nsp10 interaction releases exonuclease activity
por: Czarna, Anna, et al.
Publicado: (2022)

Reversible and irreversible inhibitors of coronavirus Nsp15 endoribonuclease
por: Chen, Jerry, et al.
Publicado: (2023)

Targeting the vital non-structural proteins (NSP12, NSP7, NSP8 and NSP3) from SARS-CoV-2 and inhibition of RNA polymerase by natural bioactive compound naringenin as a promising drug candidate against COVID-19
por: Aleebrahim-Dehkordi, Elahe, et al.
Publicado: (2023)

SARS-CoV-2 viral proteins NSP1 and NSP13 inhibit interferon activation through distinct mechanisms
por: Vazquez, Christine, et al.
Publicado: (2021)

Molecular Simulation-Based Investigation of Highly Potent Natural Products to Abrogate Formation of the nsp10–nsp16 Complex of SARS-CoV-2
por: Mohammad, Anwar, et al.
Publicado: (2021)

Exploring cleavage activity of NSP15 using single molecule PIE-FRET
por: Gordon, Kenya, et al.
Publicado: (2023)

Remdesivir and SARS-CoV-2: Structural requirements at both nsp12 RdRp and nsp14 Exonuclease active-sites
por: Shannon, Ashleigh, et al.
Publicado: (2020)

Identification of novel mutations in the methyltransferase complex (Nsp10-Nsp16) of SARS-CoV-2
por: Azad, Gajendra Kumar
Publicado: (2020)

Insights into SARS-CoV transcription and replication from the structure of the nsp7–nsp8 hexadecamer
por: Zhai, Yujia, et al.
Publicado: (2005)

Optimizing peptide inhibitors of SARS-Cov-2 nsp10/nsp16 methyltransferase predicted through molecular simulation and machine learning
por: Hamre, John R., et al.
Publicado: (2022)

Regulation of coronavirus nsp15 cleavage specificity by RNA structure
por: Salukhe, Indraneel, et al.
Publicado: (2023)

Arterivirus nsp2 Cysteine Proteinase
por: Kikkert, Marjolein, et al.
Publicado: (2013)

Coronavirus Inhibitors Targeting nsp16
por: Omer, Ejlal A., et al.
Publicado: (2023)

Chikungunya virus nsP1 interacts directly with nsP2 and modulates its ATPase activity
por: Kumar, Sameer, et al.
Publicado: (2018)

MHV-A59 Orf1a Replicase Protein NSP7-NSP10 Processing in Replication
por: Deming, Damon J., et al.
Publicado: (2006)

The crystal structure of nsp10-nsp16 heterodimer from SARS-CoV-2 in complex with S-adenosylmethionine
por: Rosas-Lemus, Monica, et al.
Publicado: (2020)

Insertion/deletion hotspots in the Nsp2, Nsp3, S1, and ORF8 genes of SARS-related coronaviruses
por: Akaishi, Tetsuya, et al.
Publicado: (2022)

Cannot write session to /tmp/vufind_sessions/sess_s2r8o5uqntkimvcq1sahq25bfc