Cargando…

Comparative molecular docking and simulation analysis of molnupiravir and remdesivir with SARS-CoV-2 RNA dependent RNA polymerase (RdRp)

Treatment of SARS-CoV-2 targeting its RNA dependent RNA polymerase (RdRp) is of current interest. Remdesivir has been approved for the treatment of COVID-19 around the world. However, the drug has been linked with pharmacological limitations like adverse effects and reduced efficiency. Nevertheless,...

Descripción completa

Detalles Bibliográficos
Autores principales:	Patil, Shashank M, Maruthi, KR, Bajpe, Shrisha Naik, Vyshali, VM, Sushmitha, S, Akhila, Chagalamari, Ramu, Ramith
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Biomedical Informatics 2021
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9148593/ https://www.ncbi.nlm.nih.gov/pubmed/35655903 http://dx.doi.org/10.6026/97320630017932

Ejemplares similares

RdRp inhibitors and COVID-19: Is molnupiravir a good option?
por: Hashemian, Seyed Mohammad Reza, et al.
Publicado: (2022)

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

RdRp or RT, That is the Question
por: Peyambari, Mahtab, et al.
Publicado: (2021)

In silico investigation to identify potential small molecule inhibitors of the RNA-dependent RNA polymerase (RdRp) nidovirus RdRp-associated nucleotidyltransferase domain
por: Pitsillou, Eleni, et al.
Publicado: (2021)

Evaluation of potential anti-RNA-dependent RNA polymerase (RdRP) drugs against the newly emerged model of COVID-19 RdRP using computational methods
por: Poustforoosh, Alireza, et al.
Publicado: (2021)

SARS-CoV-2 RdRp uses NDPs as a substrate and is able to incorporate NHC into RNA from diphosphate form molnupiravir
por: Wang, Maofeng, et al.
Publicado: (2023)

RNA-dependent RNA polymerase (RdRp) natural antiviral inhibitors: a review
por: Leite, Daniela Regina Buch, et al.
Publicado: (2022)

Allosteric activation of SARS-CoV-2 RdRp by remdesivir triphosphate and other phosphorylated nucleotides
por: Wang, Bing, et al.
Publicado: (2021)

RdRp-based sensitive taxonomic classification of RNA viruses for metagenomic data
por: Tang, Xubo, et al.
Publicado: (2022)

Protocol to identify multiple protein targets and therapeutic compounds using an in silico polypharmacological approach
por: Simha N, Akshaya, et al.
Publicado: (2023)

Ribavirin, Remdesivir, Sofosbuvir, Galidesivir, and Tenofovir against SARS-CoV-2 RNA dependent RNA polymerase (RdRp): A molecular docking study
por: Elfiky, Abdo A.
Publicado: (2020)

Snapshots of a Non-Canonical RdRP in Action
por: Ferrero, Diego S., et al.
Publicado: (2021)

Targeting the RdRp of Emerging RNA Viruses: The Structure-Based Drug Design Challenge
por: Picarazzi, Francesca, et al.
Publicado: (2020)

Aging correlates with lower threshold cycle values for RdRP/RdRP+S genes during molecular detection of SARS-CoV-2
por: Mikuła-Pietrasik, Justyna, et al.
Publicado: (2021)

Molecular docking and simulation analysis of the FimH protein with secondary metabolites from the Garcinia species
por: Badiger, Abhijeeth S, et al.
Publicado: (2022)

Development and validation of RdRp Screen, a crystallization screen for viral RNA-dependent RNA polymerases
por: Riccio, Federica, et al.
Publicado: (2019)

RNA-dependent RNA polymerase (RdRp) inhibitors: The current landscape and repurposing for the COVID-19 pandemic
por: Tian, Lei, et al.
Publicado: (2021)

Polyphenols as Potential Inhibitors of SARS-CoV-2 RNA Dependent RNA Polymerase (RdRp)
por: Wu, Yifei, et al.
Publicado: (2021)

Effectiveness of Remdesivir in Comparison with Five Approved Antiviral Drugs for Inhibition of RdRp in Combat with SARS-CoV-2
por: Mahdian, Soodeh, et al.
Publicado: (2022)

Identification of RNA Virus–Derived RdRp Sequences in Publicly Available Transcriptomic Data Sets
por: Olendraite, Ingrida, et al.
Publicado: (2023)

Inhibition of HEV Replication by FDA-Approved RdRp Inhibitors
por: Hooda, Preeti, et al.
Publicado: (2023)

High-throughput rational design of the remdesivir binding site in the RdRp of SARS-CoV-2: implications for potential resistance
por: Padhi, Aditya K., et al.
Publicado: (2020)

RNA‐dependent RNA polymerase, RdRP, a promising therapeutic target for cancer and potentially COVID‐19
por: Machitani, Mitsuhiro, et al.
Publicado: (2020)

SARS-CoV-2 RNA Dependent RNA polymerase (RdRp) – A drug repurposing study
por: Ahmad, Jamshaid, et al.
Publicado: (2020)

SARS-CoV-2 RdRp Inhibitors Selected from a Cell-Based SARS-CoV-2 RdRp Activity Assay System
por: Min, Jung Sun, et al.
Publicado: (2021)

Designing an effective therapeutic siRNA to silence RdRp gene of SARS-CoV-2
por: Shawan, Mohammad Mahfuz Ali Khan, et al.
Publicado: (2021)

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

Molecular Dynamics Simulations Reveal the Interaction Fingerprint of Remdesivir Triphosphate Pivotal in Allosteric Regulation of SARS-CoV-2 RdRp
por: Srivastava, Mitul, et al.
Publicado: (2021)

Homology Modeling and Analysis of Structure Predictions of the Bovine Rhinitis B Virus RNA Dependent RNA Polymerase (RdRp)
por: Rai, Devendra K., et al.
Publicado: (2012)

Potential RNA-dependent RNA polymerase (RdRp) inhibitors as prospective drug candidates for SARS-CoV-2
por: Bekheit, Mohamed S., et al.
Publicado: (2023)

RdRp-scan: A bioinformatic resource to identify and annotate divergent RNA viruses in metagenomic sequence data
por: Charon, Justine, et al.
Publicado: (2022)

RNA chaperone activity of the tombusviral p33 replication protein facilitates initiation of RNA synthesis by the viral RdRp in vitro
por: Stork, Jozsef, et al.
Publicado: (2011)

RdRp (RNA-dependent RNA polymerase): A key target providing anti-virals for the management of various viral diseases
por: Pathania, Shelly, et al.
Publicado: (2022)

In silico structural elucidation of the rabies RNA-dependent RNA polymerase (RdRp) toward the identification of potential rabies virus inhibitors
por: Kiriwan, Duangnapa, et al.
Publicado: (2021)

Corrigendum to “Ribavirin, Remdesivir, Sofosbuvir, Galidesivir, and Tenofovir against SARSCoV-2 RNA dependent RNA polymerase (RdRp): A molecular docking study” [Life Sci. 253 (2020) 117592]
por: Elfiky, Abdo A.
Publicado: (2020)

Antiviral Protection via RdRP-Mediated Stable Activation of Innate Immunity
por: Painter, Meghan M., et al.
Publicado: (2015)

RdRp mutations are associated with SARS-CoV-2 genome evolution
por: Eskier, Doğa, et al.
Publicado: (2020)

The potential of Paritaprevir and Emetine as inhibitors of SARS-CoV-2 RdRp
por: Gurung, Arun Bahadur, et al.
Publicado: (2021)

Structure-Based Virtual Screening to Identify Novel Potential Compound as an Alternative to Remdesivir to Overcome the RdRp Protein Mutations in SARS-CoV-2
por: Kumar D, Thirumal, et al.
Publicado: (2021)

Pharmacophore screening to identify natural origin compounds to target RNA-dependent RNA polymerase (RdRp) of SARS-CoV2
por: Mishra, Avinash, et al.
Publicado: (2022)

Cannot write session to /tmp/vufind_sessions/sess_rgo1v2gjgcqqeqba5r7o9jc6vk