Cargando…

Target identification for repurposed drugs active against SARS-CoV-2 via high-throughput inverse docking

Screening already approved drugs for activity against a novel pathogen can be an important part of global rapid-response strategies in pandemics. Such high-throughput repurposing screens have already identified several existing drugs with potential to combat SARS-CoV-2. However, moving these hits fo...

Descripción completa

Detalles Bibliográficos
Autores principales:	Ribone, Sergio R., Paz, S. Alexis, Abrams, Cameron F., Villarreal, Marcos A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer International Publishing 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8616721/ https://www.ncbi.nlm.nih.gov/pubmed/34825285 http://dx.doi.org/10.1007/s10822-021-00432-3

Ejemplares similares

Repurposing of Drugs for SARS-CoV-2 Using Inverse Docking Fingerprints
por: Jukič, Marko, et al.
Publicado: (2021)

Molecular Docking Reveals Ivermectin and Remdesivir as Potential Repurposed Drugs Against SARS-CoV-2
por: Eweas, Ahmad F., et al.
Publicado: (2021)

Drug repurposing for SARS-CoV-2: a high-throughput molecular docking, molecular dynamics, machine learning, and DFT study
por: Kashyap, Jatin, et al.
Publicado: (2022)

ACID: a free tool for drug repurposing using consensus inverse docking strategy
por: Wang, Fan, et al.
Publicado: (2019)

In Silico Identification of Potential Inhibitors of the SARS-CoV-2 Nucleocapsid Through Molecular Docking-Based Drug Repurposing
por: Afreen, Rukhsar, et al.
Publicado: (2022)

In silico molecular docking analysis for repurposing approved antiviral drugs against SARS-CoV-2 main protease
por: Khater, Ibrahim, et al.
Publicado: (2021)

Drug repurposing for identification of potential spike inhibitors for SARS-CoV-2 using molecular docking and molecular dynamics simulations
por: Lazniewski, Michal, et al.
Publicado: (2022)

A molecular docking study of potential inhibitors and repurposed drugs against SARS-CoV-2 main protease enzyme()
por: Ercan, Selami, et al.
Publicado: (2021)

In silico molecular docking analysis for repurposing therapeutics against multiple proteins from SARS-CoV-2
por: Deshpande, Rujuta R., et al.
Publicado: (2020)

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

Mutational analysis in international isolates and drug repurposing against SARS-CoV-2 spike protein: molecular docking and simulation approach
por: Pulakuntla, Swetha, et al.
Publicado: (2021)

Repurposing of Sitagliptin- Melittin Optimized Nanoformula against SARS-CoV-2; Antiviral Screening and Molecular Docking Studies
por: Al-Rabia, Mohammed W., et al.
Publicado: (2021)

Anti-HIV drug repurposing against SARS-CoV-2
por: Sang, Peng, et al.
Publicado: (2020)

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

Drug repurposing against SARS-CoV-1, SARS-CoV-2 and MERS-CoV
por: Aherfi, Sarah, et al.
Publicado: (2021)

Rapid Identification of Antifungal Compounds against Exserohilum rostratum Using High Throughput Drug Repurposing Screens
por: Sun, Wei, et al.
Publicado: (2013)

Identification of SARS-CoV-2 inhibitors through phylogenetics and drug repurposing
por: Mishra, Anamika, et al.
Publicado: (2022)

Computational guided approach for drug repurposing against SARS-CoV-2
por: Anand, Jigisha, et al.
Publicado: (2021)

Drug repurposing against SARS-CoV-2 using computational approaches
por: Kumar, Sumit, et al.
Publicado: (2022)

Repurposing drug molecule against SARS-Cov-2 (COVID-19) through molecular docking and dynamics: a quick approach to pick FDA-approved drugs
por: Farhat, Nabeela, et al.
Publicado: (2021)

Combined deep learning and molecular docking simulations approach identifies potentially effective FDA approved drugs for repurposing against SARS-CoV-2
por: Anwaar, Muhammad U., et al.
Publicado: (2022)

Effectivity of repurposed drugs against SARS-CoV-2 infections, A hope for COVID 19: inhibitor modelling studies by docking and molecular dynamics
por: Yadav, Pooja, et al.
Publicado: (2022)

In silico drug repurposing carvedilol and its metabolites against SARS-CoV-2 infection using molecular docking and molecular dynamic simulation approaches
por: Zhang, Chunye, et al.
Publicado: (2023)

Computational search for drug repurposing to identify potential inhibitors against SARS-COV-2 using Molecular Docking, QTAIM and IQA methods in viral Spike protein – Human ACE2 interface
por: Faria, Sergio H.D.M., et al.
Publicado: (2021)

Correction: Rapid Identification of Antifungal Compounds against Exserohilum rostratum Using High Throughput Drug Repurposing Screens
por: Sun, Wei, et al.
Publicado: (2013)

Correction: Rapid Identification of Antifungal Compounds against Exserohilum rostratum Using High Throughput Drug Repurposing Screens
por: Sun, Wei, et al.
Publicado: (2013)

Repurposing existing drugs: identification of irreversible IMPDH inhibitors by high-throughput screening
por: Sarwono, Albertus Eka Yudistira, et al.
Publicado: (2018)

Identification of SARS-CoV-2–induced pathways reveals drug repurposing strategies
por: Han, Namshik, et al.
Publicado: (2021)

Drugs Repurposing Using QSAR, Docking and Molecular Dynamics for Possible Inhibitors of the SARS-CoV-2 M(pro) Protease
por: Tejera, Eduardo, et al.
Publicado: (2020)

Drug repurposing for identification of potential inhibitors against SARS-CoV-2 spike receptor-binding domain: An in silico approach
por: Behera, Santosh Kumar, et al.
Publicado: (2021)

Drug repurposing against main protease and RNA-dependent RNA polymerase of SARS-CoV-2 using molecular docking, MM-GBSA calculations and molecular dynamics
por: Mohammed, Ahmed O., et al.
Publicado: (2022)

Identification of broad anti-coronavirus chemical agents for repurposing against SARS-CoV-2 and variants of concern
por: Murer, Luca, et al.
Publicado: (2022)

Repurposing the antibacterial drugs for inhibition of SARS-CoV2-PLpro using molecular docking, MD simulation and binding energy calculation
por: Patel, Rohit, et al.
Publicado: (2021)

Virtual Screening of Repurposed Drugs as Potential Spike Protein Inhibitors of Different SARS-CoV-2 Variants: Molecular Docking Study
por: Eweas, Ahmad F., et al.
Publicado: (2022)

Inverse docking based screening and identification of protein targets for Cassiarin alkaloids against Plasmodium falciparum
por: Negi, Arvind, et al.
Publicado: (2018)

Virtual drug repurposing study against SARS-CoV-2 TMPRSS2 target
por: DURDAĞI, Serdar
Publicado: (2020)

Molecular targets and system biology approaches for drug repurposing against SARS-CoV-2
por: Singh, Rahul Kunwar, et al.
Publicado: (2020)

Scope of repurposed drugs against the potential targets of the latest variants of SARS-CoV-2
por: Niranjan, Vidya, et al.
Publicado: (2022)

Raltegravir, Indinavir, Tipranavir, Dolutegravir, and Etravirine against main protease and RNA-dependent RNA polymerase of SARS-CoV-2: A molecular docking and drug repurposing approach
por: Indu, Purushothaman, et al.
Publicado: (2020)

Drugs repurposing against SARS-CoV2 and the new variant B.1.1.7 (alpha strain) targeting the spike protein: molecular docking and simulation studies
por: Pande, Monu, et al.
Publicado: (2021)

Cannot write session to /tmp/vufind_sessions/sess_upi3spk8uhv7n68ootteaq7iao