Cargando…

Remdesivir Strongly Binds to RNA-Dependent RNA Polymerase, Membrane Protein, and Main Protease of SARS-CoV-2: Indication From Molecular Modeling and Simulations

Development of new drugs is a time-taking and expensive process. Comprehensive efforts are being made globally toward the search of therapeutics against SARS-CoV-2. Several drugs such as remdesivir, favipiravir, ritonavir, and lopinavir have been included in the treatment regimen and shown effective...

Descripción completa

Detalles Bibliográficos
Autores principales:	Khan, Faez Iqbal, Kang, Tongzhou, Ali, Haider, Lai, Dakun
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/PMC8293383/ https://www.ncbi.nlm.nih.gov/pubmed/34305617 http://dx.doi.org/10.3389/fphar.2021.710778

Ejemplares similares

Erratum: Remdesivir strongly binds to RNA-dependent RNA polymerase, membrane protein, and main protease of SARS-CoV-2: Indication from molecular modeling and simulations
por: Frontiers Production Office,
Publicado: (2022)

Remdesivir Strongly Binds to Both RNA-Dependent RNA Polymerase and Main Protease of SARS-CoV-2: Evidence from Molecular Simulations
por: Nguyen, Hoang Linh, et al.
Publicado: (2020)

Exploring Phytochemicals of Traditional Medicinal Plants Exhibiting Inhibitory Activity Against Main Protease, Spike Glycoprotein, RNA-dependent RNA Polymerase and Non-Structural Proteins of SARS-CoV-2 Through Virtual Screening
por: Nallusamy, Saranya, et al.
Publicado: (2021)

Mechanistic insight on the remdesivir binding to RNA-Dependent RNA polymerase (RdRp) of SARS-cov-2
por: Arba, Muhammad, et al.
Publicado: (2021)

Mechanism of Inhibition of Ebola Virus RNA-Dependent RNA Polymerase by Remdesivir
por: Tchesnokov, Egor P., et al.
Publicado: (2019)

Modeling the Binding Mechanism of Remdesivir, Favilavir, and Ribavirin to SARS-CoV-2 RNA-Dependent RNA Polymerase
por: Byléhn, Fabian, et al.
Publicado: (2021)

The main protease and RNA-dependent RNA polymerase are two prime targets for SARS-CoV-2
por: Jin, Zhenming, et al.
Publicado: (2021)

In Silico Studies on Psilocybin Drug Derivatives Against SARS-CoV-2 and Cytokine Storm of Human Interleukin-6 Receptor
por: Khan, Faez Iqbal, et al.
Publicado: (2022)

The Molecular Basis of the Effect of Temperature on the Structure and Function of SARS-CoV-2 Spike Protein
por: Khan, Faez Iqbal, et al.
Publicado: (2022)

Hordatines as a Potential Inhibitor of COVID-19 Main Protease and RNA Polymerase: An In-Silico Approach
por: Dahab, Mohammed A., et al.
Publicado: (2020)

Comparative molecular docking and simulation analysis of molnupiravir and remdesivir with SARS-CoV-2 RNA dependent RNA polymerase (RdRp)
por: Patil, Shashank M, et al.
Publicado: (2021)

Remdesivir triphosphate can efficiently inhibit the RNA-dependent RNA polymerase from various flaviviruses
por: Konkolova, Eva, et al.
Publicado: (2020)

Discovery of genistein derivatives as potential SARS-CoV-2 main protease inhibitors by virtual screening, molecular dynamics simulations and ADMET analysis
por: Liu, Jiawei, et al.
Publicado: (2022)

Remdesivir MD Simulations Suggest a More Favourable Binding to SARS-CoV-2 RNA Dependent RNA Polymerase Mutant P323L Than Wild-Type
por: Mohammad, Anwar, et al.
Publicado: (2021)

Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir
por: Yin, Wanchao, et al.
Publicado: (2020)

Remdesivir-bound and ligand-free simulations reveal the probable mechanism of inhibiting the RNA dependent RNA polymerase of severe acute respiratory syndrome coronavirus 2
por: Koulgi, Shruti, et al.
Publicado: (2020)

Effects of the RNA-Polymerase Inhibitors Remdesivir and Favipiravir on the Structure of Lipid Bilayers—An MD Study
por: Bringas, Mauro, et al.
Publicado: (2022)

Discovering Potential RNA Dependent RNA Polymerase Inhibitors as Prospective Drugs Against COVID-19: An in silico Approach
por: Saha, Satabdi, et al.
Publicado: (2021)

Comparative Analysis of Bacteriophytochrome Agp2 and Its Engineered Photoactivatable NIR Fluorescent Proteins PAiRFP1 and PAiRFP2
por: Khan, Faez Iqbal, et al.
Publicado: (2020)

Remdesivir Inhibits Tubulointerstitial Fibrosis in Obstructed Kidneys
por: Xu, Lin, et al.
Publicado: (2021)

Dual-targeting cyclic peptides of receptor-binding domain (RBD) and main protease (Mpro) as potential drug leads for the treatment of SARS-CoV-2 infection
por: Xu, Zhen, et al.
Publicado: (2022)

Template-dependent inhibition of coronavirus RNA-dependent RNA polymerase by remdesivir reveals a second mechanism of action
por: Tchesnokov, Egor P., et al.
Publicado: (2020)

Piece of the puzzle: Remdesivir disassembles the multimeric SARS-CoV-2 RNA-dependent RNA polymerase complex
por: Olotu, Fisayo A., et al.
Publicado: (2021)

Mutations in the SARS-CoV-2 RNA dependent RNA polymerase confer resistance to remdesivir by distinct mechanisms
por: Stevens, Laura J., et al.
Publicado: (2022)

Drug Repurposing and Polypharmacology to Fight SARS-CoV-2 Through Inhibition of the Main Protease
por: Pinzi, Luca, 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)

Protective Effect of Remdesivir Against Pulmonary Fibrosis in Mice
por: Li, Xiaohe, et al.
Publicado: (2021)

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

The antiviral compound remdesivir potently inhibits RNA-dependent RNA polymerase from Middle East respiratory syndrome coronavirus
por: Gordon, Calvin J., et al.
Publicado: (2020)

Correction: Template-dependent inhibition of coronavirus RNA-dependent RNA polymerase by remdesivir reveals a second mechanism of action
por: Tchesnokov, Egor P., et al.
Publicado: (2021)

Probing remdesivir nucleotide analogue insertion to SARS-CoV-2 RNA dependent RNA polymerase in viral replication
por: Romero, Moises E., et al.
Publicado: (2022)

Allosteric Activation of SARS-CoV-2 RNA-Dependent RNA Polymerase by Remdesivir Triphosphate and Other Phosphorylated Nucleotides
por: Wang, Bing, 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)

Identifying novel sphingosine kinase 1 inhibitors as therapeutics against breast cancer
por: Khan, Faez Iqbal, et al.
Publicado: (2019)

Intermolecular interaction among Remdesivir, RNA and RNA-dependent RNA polymerase of SARS-CoV-2 analyzed by fragment molecular orbital calculation
por: Kato, Koichiro, et al.
Publicado: (2020)

Broad spectrum antiviral remdesivir inhibits human endemic and zoonotic deltacoronaviruses with a highly divergent RNA dependent RNA polymerase
por: Brown, Ariane J., et al.
Publicado: (2019)

Remdesivir Is Effective in Combating COVID-19 because It Is a Better Substrate than ATP for the Viral RNA-Dependent RNA Polymerase
por: Dangerfield, Tyler L., et al.
Publicado: (2020)

Translocation pause of remdesivir-containing primer/template RNA duplex within SARS-CoV-2’s RNA polymerase complexes
por: Shi, Yuanjun, et al.
Publicado: (2022)

Flavonoid glycosides and their putative human metabolites as potential inhibitors of the SARS-CoV-2 main protease (Mpro) and RNA-dependent RNA polymerase (RdRp)
por: da Silva, Felipe Moura A, et al.
Publicado: (2020)

Population Pharmacokinetics of Remdesivir and GS-441524 in Hospitalized COVID-19 Patients
por: Leegwater, E., et al.
Publicado: (2022)

Cannot write session to /tmp/vufind_sessions/sess_cof33deid2b3olf770brdp7alp