Cargando…

Computational Repurposing of Drugs and Natural Products Against SARS-CoV-2 Main Protease (M(pro)) as Potential COVID-19 Therapies

We urgently need to identify drugs to treat patients suffering from COVID-19 infection. Drugs rarely act at single molecular targets. Off-target effects are responsible for undesirable side effects and beneficial synergy between targets for specific illnesses. They have provided blockbuster drugs, e...

Descripción completa

Detalles Bibliográficos
Autores principales:	Piplani, Sakshi, Singh, Puneet, Petrovsky, Nikolai, Winkler, David A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2022
Materias:	Molecular Biosciences
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8964187/ https://www.ncbi.nlm.nih.gov/pubmed/35359601 http://dx.doi.org/10.3389/fmolb.2022.781039

Ejemplares similares

Potential COVID-19 Therapies from Computational Repurposing of Drugs and Natural Products against the SARS-CoV-2 Helicase
por: Piplani, Sakshi, et al.
Publicado: (2022)

Computationally repurposed drugs and natural products against RNA dependent RNA polymerase as potential COVID-19 therapies
por: Piplani, Sakshi, et al.
Publicado: (2021)

Identifying SARS-CoV-2 Drugs Binding to the Spike Fatty Acid Binding Pocket Using In Silico Docking and Molecular Dynamics
por: Piplani, Sakshi, et al.
Publicado: (2023)

A Computer-Aided Approach for the Discovery of D-Peptides as Inhibitors of SARS-CoV-2 Main Protease
por: Hernández González, Jorge E., et al.
Publicado: (2022)

In silico comparison of SARS-CoV-2 spike protein-ACE2 binding affinities across species and implications for virus origin
por: Piplani, Sakshi, et al.
Publicado: (2021)

Author Correction: In silico comparison of SARS-CoV-2 spike protein-ACE2 binding affinities across species and implications for virus origin
por: Piplani, Sakshi, et al.
Publicado: (2021)

In silico Screening of Natural Compounds as Potential Inhibitors of SARS-CoV-2 Main Protease and Spike RBD: Targets for COVID-19
por: Teli, Divya M., et al.
Publicado: (2021)

Phytochemicals of Euphorbia hirta L. and Their Inhibitory Potential Against SARS-CoV-2 Main Protease
por: Cayona, Ruel, et al.
Publicado: (2022)

Prospective Role of Peptide-Based Antiviral Therapy Against the Main Protease of SARS-CoV-2
por: Mahmud, Shafi, et al.
Publicado: (2021)

Recent Progress in the Drug Development Targeting SARS-CoV-2 Main Protease as Treatment for COVID-19
por: Cui, Wen, et al.
Publicado: (2020)

Evaluation of Clove Phytochemicals as Potential Antiviral Drug Candidates Targeting SARS-CoV-2 Main Protease: Computational Docking, Molecular Dynamics Simulation, and Pharmacokinetic Profiling
por: Chandra Manivannan, Arun, et al.
Publicado: (2022)

An Integrated Computational and Experimental Approach to Identifying Inhibitors for SARS-CoV-2 3CL Protease
por: Zhai, Tianhua, et al.
Publicado: (2021)

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)

Editorial: Genetically mobile elements repurposed by nature and biotechnologists
por: Lennon, Christopher W., et al.
Publicado: (2022)

A Potential Peptide From Soy Cheese Produced Using Lactobacillus delbrueckii WS4 for Effective Inhibition of SARS-CoV-2 Main Protease and S1 Glycoprotein
por: Chourasia, Rounak, et al.
Publicado: (2020)

Inhibition of SARS-CoV-2 3CL M(pro) by Natural and Synthetic Inhibitors: Potential Implication for Vaccine Production Against COVID-19
por: Ullah, Anwar, et al.
Publicado: (2021)

Potential of Natural Alkaloids From Jadwar (Delphinium denudatum) as Inhibitors Against Main Protease of COVID-19: A Molecular Modeling Approach
por: Kumar, Anuj, et al.
Publicado: (2022)

Combining docking, molecular dynamics simulations, AD-MET pharmacokinetics properties, and MMGBSA calculations to create specialized protocols for running effective virtual screening campaigns on the autoimmune disorder and SARS-CoV-2 main protease
por: Edache, Emmanuel Israel, et al.
Publicado: (2023)

Drug Repurposing on G Protein-Coupled Receptors Using a Computational Profiling Approach
por: de Felice, Alessandra, et al.
Publicado: (2021)

Computational protein design repurposed to explore enzyme vitality and help predict antibiotic resistance
por: Michael, Eleni, et al.
Publicado: (2023)

Insights Into Dynamics of Inhibitor and Ubiquitin-Like Protein Binding in SARS-CoV-2 Papain-Like Protease
por: Bosken, Yuliana K., et al.
Publicado: (2020)

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)

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

Tuftsin: A Natural Molecule Against SARS-CoV-2 Infection
por: Huang, Jiahao, et al.
Publicado: (2022)

Computational Saturation Mutagenesis of SARS-CoV-1 Spike Glycoprotein: Stability, Binding Affinity, and Comparison With SARS-CoV-2
por: Sobitan, Adebiyi, et al.
Publicado: (2021)

Group II Introns: Flexibility and Repurposing
por: Costa, Maria
Publicado: (2022)

Identification of Potential Inhibitors of 3CL Protease of SARS-CoV-2 From ZINC Database by Molecular Docking-Based Virtual Screening
por: Abdusalam, Ashraf Ahmed Ali, et al.
Publicado: (2020)

Molecular Docking Studies on the Anti-viral Effects of Compounds From Kabasura Kudineer on SARS-CoV-2 3CL(pro)
por: Vincent, Savariar, et al.
Publicado: (2020)

Inhibition of the main protease of SARS-CoV-2 (M(pro)) by repurposing/designing drug-like substances and utilizing nature’s toolbox of bioactive compounds
por: Antonopoulou, Io, et al.
Publicado: (2022)

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

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

Computational investigation of natural compounds as potential main protease (M(pro)) inhibitors for SARS-CoV-2 virus
por: Patel, Chirag N., et al.
Publicado: (2022)

Discovery of Small-Molecule Inhibitors of SARS-CoV-2 Proteins Using a Computational and Experimental Pipeline
por: Lau, Edmond Y., et al.
Publicado: (2021)

Regulation of ADAMTS Proteases
por: Rose, Keron W. J., et al.
Publicado: (2021)

Computational Study of the Ion and Water Permeation and Transport Mechanisms of the SARS-CoV-2 Pentameric E Protein Channel
por: Cao, Yipeng, et al.
Publicado: (2020)

Recent Advances in Repurposing Disulfiram and Disulfiram Derivatives as Copper-Dependent Anticancer Agents
por: Kannappan, Vinodh, et al.
Publicado: (2021)

Aspirin Repurposing in Folate-Decorated Nanoparticles: Another Way to Target Breast Cancer
por: Kanwal, Fariha, et al.
Publicado: (2022)

Multifunctional Mitochondrial AAA Proteases
por: Glynn, Steven E.
Publicado: (2017)

Computational study of nitro-benzylidene phenazine as dengue virus-2 NS2B-NS3 protease inhibitor
por: Salin, Nurul Hanim, et al.
Publicado: (2022)

Microbial Natural Products as Potential Inhibitors of SARS-CoV-2 Main Protease (M(pro))
por: Sayed, Ahmed M., et al.
Publicado: (2020)

Cannot write session to /tmp/vufind_sessions/sess_lacb5r36pl6ihr3ucdgbqrq6ue