Cargando…

Targeting SARS-CoV-2 nsp13 Helicase and Assessment of Druggability Pockets: Identification of Two Potent Inhibitors by a Multi-Site In Silico Drug Repurposing Approach

The SARS-CoV-2 non-structural protein 13 (nsp13) helicase is an essential enzyme for viral replication and has been identified as an attractive target for the development of new antiviral drugs. In detail, the helicase catalyzes the unwinding of double-stranded DNA or RNA in a 5′ to 3′ direction and...

Descripción completa

Detalles Bibliográficos
Autores principales:	Romeo, Isabella, Ambrosio, Francesca Alessandra, Costa, Giosuè, Corona, Angela, Alkhatib, Mohammad, Salpini, Romina, Lemme, Saverio, Vergni, Davide, Svicher, Valentina, Santoro, Maria Mercedes, Tramontano, Enzo, Ceccherini-Silberstein, Francesca, Artese, Anna, Alcaro, Stefano
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9654784/ https://www.ncbi.nlm.nih.gov/pubmed/36364347 http://dx.doi.org/10.3390/molecules27217522

Ejemplares similares

Current status of antivirals and druggable targets of SARS CoV-2 and other human pathogenic coronaviruses
por: Artese, Anna, et al.
Publicado: (2020)

SARS-CoV-2 Variants and Their Relevant Mutational Profiles: Update Summer 2021
por: Alkhatib, Mohammad, et al.
Publicado: (2021)

Update on SARS-CoV-2 Omicron Variant of Concern and Its Peculiar Mutational Profile
por: Alkhatib, Mohammad, et al.
Publicado: (2022)

SARS-CoV-2 Mutations and Variants May Muddle the Sensitivity of COVID-19 Diagnostic Assays
por: Alkhatib, Mohammad, et al.
Publicado: (2022)

In Silico Insights towards the Identification of SARS-CoV-2 NSP13 Helicase Druggable Pockets
por: Ricci, Federico, et al.
Publicado: (2022)

Molecular and Structural Aspects of Clinically Relevant Mutations of SARS-CoV-2 RNA-Dependent RNA Polymerase in Remdesivir-Treated Patients
por: Gratteri, Carmen, et al.
Publicado: (2023)

HCV Genotypes Are Differently Prone to the Development of Resistance to Linear and Macrocyclic Protease Inhibitors
por: Cento, Valeria, et al.
Publicado: (2012)

Different Patterns of HIV-1 Replication in MACROPHAGES is Led by Co-Receptor Usage
por: Borrajo, Ana, et al.
Publicado: (2019)

Revealing druggable cryptic pockets in the Nsp1 of SARS-CoV-2 and other β-coronaviruses by simulations and crystallography
por: Borsatto, Alberto, et al.
Publicado: (2022)

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)

New Markers in Monitoring the Reactivation of Hepatitis B Virus Infection in Immunocompromised Hosts
por: Svicher, Valentina, et al.
Publicado: (2019)

Druggable Transient Pockets in Protein Kinases
por: Umezawa, Koji, et al.
Publicado: (2021)

An Increase in the Levels of Middle Surface Antigen Characterizes Patients Developing HBV-Driven Liver Cancer Despite Prolonged Virological Suppression
por: Brancaccio, Giuseppina, et al.
Publicado: (2021)

Natural Products Extracted from Fungal Species as New Potential Anti-Cancer Drugs: A Structure-Based Drug Repurposing Approach Targeting HDAC7
por: Maruca, Annalisa, et al.
Publicado: (2020)

Identification of New Natural DNA G-Quadruplex Binders Selected by a Structure-Based Virtual Screening Approach
por: Artese, Anna, et al.
Publicado: (2013)

Whole exome HBV DNA integration is independent of the intrahepatic HBV reservoir in HBeAg-negative chronic hepatitis B
por: Svicher, Valentina, et al.
Publicado: (2021)

Structural Landscape of nsp Coding Genomic Regions of SARS-CoV-2-ssRNA Genome: A Structural Genomics Approach Toward Identification of Druggable Genome, Ligand-Binding Pockets, and Structure-Based Druggability
por: Chakraborty, Chiranjib, et al.
Publicado: (2022)

Highly Sensitive HBsAg, Anti-HBc and Anti HBsAg Titres in Early Diagnosis of HBV Reactivation in Anti-HBc-Positive Onco-Haematological Patients
por: Cerva, Carlotta, et al.
Publicado: (2022)

Where are the boundaries? Automated pocket detection for druggability studies
por: Volkamer, Andrea, et al.
Publicado: (2010)

First Case of a COVID-19 Patient Infected by Delta AY.4 with a Rare Deletion Leading to a N Gene Target Failure by a Specific Real Time PCR Assay: Novel Omicron VOC Might Be Doing Similar Scenario?
por: Alkhatib, Mohammad, et al.
Publicado: (2022)

New Insights Into DNA Helicases as Druggable Targets for Cancer Therapy
por: Datta, Arindam, et al.
Publicado: (2018)

Selected amino acid mutations in HIV-1 B subtype gp41 are Associated with Specific gp120(V3 )signatures in the regulation of Co-Receptor usage
por: Dimonte, Salvatore, et al.
Publicado: (2011)

Identification and Inhibition of the Druggable Allosteric Site of SARS-CoV-2 NSP10/NSP16 Methyltransferase through Computational Approaches
por: Faisal, Shah, et al.
Publicado: (2022)

A novel druggable interprotomer pocket in the capsid of rhino- and enteroviruses
por: Abdelnabi, Rana, et al.
Publicado: (2019)

Glutathione facilitates enterovirus assembly by binding at a druggable pocket
por: Duyvesteyn, Helen M. E., et al.
Publicado: (2020)

Probabilistic Pocket Druggability Prediction via One-Class Learning
por: Aguti, Riccardo, et al.
Publicado: (2022)

Natural Compounds Inhibit SARS-CoV-2 nsp13 Unwinding and ATPase Enzyme Activities
por: Corona, Angela, et al.
Publicado: (2022)

Crucial Role of Central Nervous System as a Viral Anatomical Compartment for HIV-1 Infection
por: Borrajo, Ana, et al.
Publicado: (2021)

Cryptic HBV Replicative Activity Is Frequently Revealed in Anti-HBc-Positive/HBsAg-Negative Patients with HIV Infection by Highly Sensitive Molecular Assays, and Can Be Predicted by Integrating Classical and Novel Serological HBV Markers
por: Salpini, Romina, et al.
Publicado: (2020)

Mapping major SARS-CoV-2 drug targets and assessment of druggability using computational fragment screening: Identification of an allosteric small-molecule binding site on the Nsp13 helicase
por: Freidel, Matthew R., et al.
Publicado: (2021)

Long-Term SARS-CoV-2 Infection Associated with Viral Dissemination in Different Body Fluids Including Bile in Two Patients with Acute Cholecystitis
por: Scutari, Rossana, et al.
Publicado: (2020)

Resistance to new antiretrovirals (ETV, anti-integrases, entry inhibitors)
por: Ceccherini-Silberstein, Francesca
Publicado: (2010)

ATPase and helicase activities of porcine epidemic diarrhea virus nsp13
por: Ren, Jie, et al.
Publicado: (2021)

Flexibility and small pockets at protein–protein interfaces: New insights into druggability
por: Jubb, Harry, et al.
Publicado: (2015)

The druggable schizophrenia genome: from repurposing opportunities to unexplored drug targets
por: Lago, Santiago G., et al.
Publicado: (2022)

HIV-1 Reverse Transcriptase Still Remains a New Drug Target: Structure, Function, Classical Inhibitors, and New Inhibitors with Innovative Mechanisms of Actions
por: Esposito, Francesca, et al.
Publicado: (2012)

HBeAg Levels Vary across the Different Stages of HBV Infection According to the Extent of Immunological Pressure and Are Associated with Therapeutic Outcome in the Setting of Immunosuppression-Driven HBV Reactivation
por: Piermatteo, Lorenzo, et al.
Publicado: (2021)

In Silico Assessment of Potential Druggable Pockets on the Surface of α(1)-Antitrypsin Conformers
por: Patschull, Anathe O. M., et al.
Publicado: (2012)

Tertiary structure prediction and identification of druggable pocket in the cancer biomarker – Osteopontin-c
por: Sivakumar, Subramaniam, et al.
Publicado: (2014)

Using Tactics to Find Druggable Pockets in SARS-CoV-2 Proteins
por: Evans, Daniel J., et al.
Publicado: (2021)

Cannot write session to /tmp/vufind_sessions/sess_4abv9pvacoja4k883boleap0ug