Cargando…

Drug Repurposing and Polypharmacology to Fight SARS-CoV-2 Through Inhibition of the Main Protease

The outbreak of a new coronavirus (SARS-CoV-2), which is responsible for the COVID-19 disease and is spreading rapidly around the world, urgently requires effective therapeutic treatments. In this context, drug repurposing represents a valuable strategy, as it enables accelerating the identification...

Descripción completa

Detalles Bibliográficos
Autores principales:	Pinzi, Luca, Tinivella, Annachiara, Caporuscio, Fabiana, Rastelli, Giulio
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2021
Materias:	Pharmacology
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7938350/ https://www.ncbi.nlm.nih.gov/pubmed/33692695 http://dx.doi.org/10.3389/fphar.2021.636989

Ejemplares similares

On the Integration of In Silico Drug Design Methods for Drug Repurposing
por: March-Vila, Eric, et al.
Publicado: (2017)

Computational polypharmacology comes of age
por: Rastelli, Giulio, et al.
Publicado: (2015)

Chemoinformatics Analyses of Tau Ligands Reveal Key Molecular Requirements for the Identification of Potential Drug Candidates against Tauopathies
por: Pinzi, Luca, et al.
Publicado: (2021)

Prediction of activity and selectivity profiles of human Carbonic Anhydrase inhibitors using machine learning classification models
por: Tinivella, Annachiara, et al.
Publicado: (2021)

LigAdvisor: a versatile and user-friendly web-platform for drug design
por: Pinzi, Luca, et al.
Publicado: (2021)

Trends and Applications in Computationally Driven Drug Repurposing
por: Pinzi, Luca, et al.
Publicado: (2023)

Identification of potential biological targets of oxindole scaffolds via in silico repositioning strategies
por: Tinivella, Annachiara, et al.
Publicado: (2022)

Repurposing Known Drugs as Covalent and Non-covalent Inhibitors of the SARS-CoV-2 Papain-Like Protease
por: Delre, Pietro, et al.
Publicado: (2020)

Editorial: Drug repurposing and polypharmacology: A synergistic approach in multi-target based drug discovery
por: Rudrapal, Mithun, et al.
Publicado: (2022)

Applying polypharmacology approach for drug repurposing for SARS-CoV2
por: Jamir, Esther, et al.
Publicado: (2022)

Identification of Promising Drug Candidates against Prostate Cancer through Computationally-Driven Drug Repurposing
por: Bernal, Leonardo, et al.
Publicado: (2023)

Structure-activity exploration of a small-molecule allosteric inhibitor of T790M/L858R double mutant EGFR
por: Foschi, Francesca, et al.
Publicado: (2022)

Impact of Drug Repurposing on SARS-Cov-2 Main Protease
por: Ndagi, Umar, et al.
Publicado: (2023)

Targeting SARS-CoV-2 Main Protease: A Computational Drug Repurposing Study
por: Baby, Krishnaprasad, et al.
Publicado: (2021)

Thermodynamic and structural insights into the repurposing of drugs that bind to SARS-CoV-2 main protease
por: Wan, Shunzhou, et al.
Publicado: (2021)

Molecular Docking: Shifting Paradigms in Drug Discovery
por: Pinzi, Luca, et al.
Publicado: (2019)

A Study of Drug Repurposing to Identify SARS-CoV-2 Main Protease (3CLpro) Inhibitors
por: Jo, Seri, et al.
Publicado: (2022)

Molecular Dynamics Simulations and Classical Multidimensional Scaling Unveil New Metastable States in the Conformational Landscape of CDK2
por: Pisani, Pasquale, et al.
Publicado: (2016)

High-throughput screening and evaluation of repurposed drugs targeting the SARS-CoV-2 main protease
por: Li, Yan, et al.
Publicado: (2021)

Drug repurposing for SARS-CoV-2 main protease: Molecular docking and molecular dynamics investigations
por: Omer, Samia E., et al.
Publicado: (2022)

Polypharmacology of Berberine Based on Multi-Target Binding Motifs
por: Chu, Ming, et al.
Publicado: (2018)

Pre-Steady-State Kinetics of the SARS-CoV-2 Main Protease as a Powerful Tool for Antiviral Drug Discovery
por: Zakharova, Maria Yu., et al.
Publicado: (2021)

QSAR and molecular docking studies on designing potent inhibitors of SARS-CoVs main protease
por: Song, Fucheng, et al.
Publicado: (2023)

Modeling of SARS-CoV-2 Treatment Effects for Informed Drug Repurposing
por: Kern, Charlotte, et al.
Publicado: (2021)

Polypharmacology guided drug repositioning approach for SARS-CoV2
por: Jamir, Esther, et al.
Publicado: (2023)

Chemogenomics knowledgebased polypharmacology analyses of drug abuse related G-protein coupled receptors and their ligands
por: Xie, Xiang-Qun, et al.
Publicado: (2014)

Drug Repurposing for Candidate SARS-CoV-2 Main Protease Inhibitors by a Novel In Silico Method
por: Sencanski, Milan, et al.
Publicado: (2020)

Drug repurposing and computational modeling for discovery of inhibitors of the main protease (M(pro)) of SARS-CoV-2
por: Silva, José Rogério A., et al.
Publicado: (2021)

Integrated computational approach towards repurposing of antimalarial drug against SARS-CoV-2 main protease
por: Gogoi, Neelutpal, et al.
Publicado: (2022)

Polypharmacology or Promiscuity? Structural Interactions of Resveratrol With Its Bandwagon of Targets
por: Saqib, Uzma, et al.
Publicado: (2018)

Potency, Safety, and Pharmacokinetic Profiles of Potential Inhibitors Targeting SARS-CoV-2 Main Protease
por: Mengist, Hylemariam Mihiretie, et al.
Publicado: (2021)

Drug Repurposing Screen for Compounds Inhibiting the Cytopathic Effect of SARS-CoV-2
por: Chen, Catherine Z., et al.
Publicado: (2021)

Computer-aided drug design for virtual-screening and active-predicting of main protease (M(pro)) inhibitors against SARS-CoV-2
por: Dai, Renhui, et al.
Publicado: (2023)

Systematic Search for SARS-CoV-2 Main Protease Inhibitors for Drug Repurposing: Ethacrynic Acid as a Potential Drug
por: Isgrò, Camilla, et al.
Publicado: (2021)

Screening of potential inhibitors targeting the main protease structure of SARS-CoV-2 via molecular docking
por: Yang, Xinbo, et al.
Publicado: (2022)

Repurposing Halicin as a potent covalent inhibitor for the SARS-CoV-2 main protease
por: Yang, Kai S., et al.
Publicado: (2022)

Repurposing of renin inhibitors as SARS-COV-2 main protease inhibitors: A computational study
por: Refaey, Rana H., et al.
Publicado: (2021)

Identification of repurposing therapeutics toward SARS-CoV-2 main protease by virtual screening
por: Sanachai, Kamonpan, et al.
Publicado: (2022)

SARS-CoV-2 main protease targeting potent fluorescent inhibitors: Repurposing thioxanthones
por: BATIBAY, Gönül S., et al.
Publicado: (2023)

A drug repurposing screen identifies hepatitis C antivirals as inhibitors of the SARS-CoV2 main protease
por: Baker, Jeremy D., et al.
Publicado: (2021)

Cannot write session to /tmp/vufind_sessions/sess_o4i0u7drg7hf5onqv0vs8u7asu