Cargando…

Molecular docking and dynamics simulation of main protease of SARS-CoV-2 with naproxen derivative

Naproxen is a well-known anti-inflammatory drug that is frequently used to relieve inflammation, stiffness, and swelling. Naproxen has previously demonstrated antiviral activity, particularly against the influenza-A virus. There have been previous studies regarding naproxen effect on SARS-CoV-2 infe...

Descripción completa

Detalles Bibliográficos
Autores principales:	K Hussein, Rageh, Marashdeh, Mohammad, M. El-Khayatt, Ahmed
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Biomedical Informatics 2023
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10563583/ https://www.ncbi.nlm.nih.gov/pubmed/37822838 http://dx.doi.org/10.6026/97320630019358

Ejemplares similares

Molecular docking analysis of novel quercetin derivatives for combating SARS-CoV-2
por: K. Hussein, Rageh, et al.
Publicado: (2023)

Molecular dynamics simulation of docking structures of SARS-CoV-2 main protease and HIV protease inhibitors
por: Cardoso, Wesley B., et al.
Publicado: (2021)

Molecular docking, molecular dynamics simulation, and ADMET analysis of levamisole derivatives against the SARS-CoV-2 main protease (M(Pro))
por: EL Khatabi, Khalil, et al.
Publicado: (2022)

Hunting the main protease of SARS-CoV-2 by plitidepsin: Molecular docking and temperature-dependent molecular dynamics simulations
por: Vishvakarma, Vijay Kumar, et al.
Publicado: (2021)

Phytochemicals from Leucas zeylanica Targeting Main Protease of SARS-CoV-2: Chemical Profiles, Molecular Docking, and Molecular Dynamics Simulations
por: Dutta, Mycal, et al.
Publicado: (2021)

Identification of natural compounds as potent inhibitors of SARS-CoV-2 main protease using combined docking and molecular dynamics simulations
por: Jairajpuri, Deeba Shamim, et al.
Publicado: (2021)

Natural inhibitors of SARS-CoV-2 main protease: structure based pharmacophore modeling, molecular docking and molecular dynamic simulation studies
por: Halimi, Mohammad, et al.
Publicado: (2022)

Identification of Food Compounds as inhibitors of SARS-CoV-2 main protease using molecular docking and molecular dynamics simulations
por: Masand, Vijay H., et al.
Publicado: (2021)

Design of Potent Inhibitors Targeting the Main Protease of SARS-CoV-2 Using QSAR Modeling, Molecular Docking, and Molecular Dynamics Simulations
por: Oubahmane, Mehdi, et al.
Publicado: (2023)

Targeting SARS-CoV-2 main protease by teicoplanin: A mechanistic insight by docking, MM/GBSA and molecular dynamics simulation
por: Azam, Faizul, et al.
Publicado: (2021)

Molecular Docking and Dynamic Simulation Revealed the Potential Inhibitory Activity of Opioid Compounds Targeting the Main Protease of SARS-CoV-2
por: Mahmoud, Samaher S. A., et al.
Publicado: (2022)

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

Molecular docking analysis of N-substituted Oseltamivir derivatives with the SARS-CoV-2 main protease
por: Belhassan, Assia, et al.
Publicado: (2020)

Antiviral peptides against the main protease of SARS-CoV-2: A molecular docking and dynamics study
por: Mahmud, Shafi, et al.
Publicado: (2021)

Rapid prediction of possible inhibitors for SARS-CoV-2 main protease using docking and FPL simulations
por: Pham, Minh Quan, et al.
Publicado: (2020)

Potential bioactive glycosylated flavonoids as SARS-CoV-2 main protease inhibitors: A molecular docking and simulation studies
por: Cherrak, Sabri Ahmed, et al.
Publicado: (2020)

Chlorhexidine and SARS-CoV-2 main protease: Molecular docking study
por: Grover, Vishakha, et al.
Publicado: (2022)

Identification of 1H-purine-2,6-dione derivative as a potential SARS-CoV-2 main protease inhibitor: molecular docking, dynamic simulations, and energy calculations
por: Nada, Hossam, et al.
Publicado: (2022)

Calendulaglycoside A showing potential activity against SARS-CoV-2 main protease: Molecular docking, molecular dynamics, and SAR studies
por: Zaki, Ahmed A., et al.
Publicado: (2021)

In silico prediction of potential inhibitors for the main protease of SARS-CoV-2 using molecular docking and dynamics simulation based drug-repurposing
por: Kumar, Yogesh, et al.
Publicado: (2020)

Inhibition Potencies of Phytochemicals Derived from Sesame Against SARS-CoV-2 Main Protease: A Molecular Docking and Simulation Study
por: Kumar, Anuj, et al.
Publicado: (2021)

Design, synthesis and docking study of Vortioxetine derivatives as a SARS-CoV-2 main protease inhibitor
por: Suryavanshi, Hemant, et al.
Publicado: (2022)

Correction: Rapid prediction of possible inhibitors for SARS-CoV-2 main protease using docking and FPL simulations
por: Pham, Minh Quan, et al.
Publicado: (2022)

Molecular docking and dynamics simulation of FDA approved drugs with the main protease from 2019 novel coronavirus
por: Odhar, Hasanain Abdulhameed, et al.
Publicado: (2020)

Unveiling the Potentiality of Shikonin Derivatives Inhibiting SARS-CoV-2 Main Protease by Molecular Dynamic Simulation Studies
por: Das, Raju, et al.
Publicado: (2023)

The Inhibitory Potential of Ferulic Acid Derivatives against the SARS-CoV-2 Main Protease: Molecular Docking, Molecular Dynamics, and ADMET Evaluation
por: Antonopoulou, Io, et al.
Publicado: (2022)

Identification of antiviral phytochemicals as a potential SARS-CoV-2 main protease (M(pro)) inhibitor using docking and molecular dynamics simulations
por: Patel, Chirag N., et al.
Publicado: (2021)

Evaluation of flavonoids as potential inhibitors of the SARS-CoV-2 main protease and spike RBD: Molecular docking, ADMET evaluation and molecular dynamics simulations
por: Hadni, Hanine, et al.
Publicado: (2022)

In silico detection of potential inhibitors from vitamins and their derivatives compounds against SARS-CoV-2 main protease by using molecular docking, molecular dynamic simulation and ADMET profiling
por: Belhassan, Assia, et al.
Publicado: (2022)

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

Drug binding dynamics of the dimeric SARS-CoV-2 main protease, determined by molecular dynamics simulation
por: Komatsu, Teruhisa S., et al.
Publicado: (2020)

Investigation of Cu metal nanoparticles with different morphologies to inhibit SARS-CoV-2 main protease and spike glycoprotein using Molecular Docking and Dynamics Simulation
por: Aallaei, Mohammadreza, et al.
Publicado: (2022)

Exploring Toxins for Hunting SARS-CoV-2 Main Protease Inhibitors: Molecular Docking, Molecular Dynamics, Pharmacokinetic Properties, and Reactome Study
por: Ibrahim, Mahmoud A. A., et al.
Publicado: (2022)

Chemical reactivities and molecular docking studies of parthenolide with the main protease of HEP-G2 and SARS-CoV-2
por: Ouled Aitouna, Abdelhak, et al.
Publicado: (2021)

Amentoflavone derivatives significantly act towards the main protease (3CL(PRO)/M(PRO)) of SARS-CoV-2: in silico admet profiling, molecular docking, molecular dynamics simulation, network pharmacology
por: Dey, Dipta, et al.
Publicado: (2022)

Discovery of alliin as a putative inhibitor of the main protease of SARS-CoV-2 by molecular docking
por: Cheng, Bijun, et al.
Publicado: (2020)

Supercomputer simulation of the covalent inhibition of the main protease of SARS-CoV-2
por: Nemukhin, A. V., et al.
Publicado: (2022)

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)

Discover the Medication Potential of Algerian Medicinal Plants Against Sars-Cov-2 Main Protease (M(pro)): Molecular Docking, Molecular Dynamic Simulation, and ADMET Analysis
por: Soudani, Wafa, et al.
Publicado: (2023)

Dynamics of the SARS-CoV-2 main protease binding site
por: Harith, Advaith S., et al.
Publicado: (2023)

Cannot write session to /tmp/vufind_sessions/sess_kb2o83bi766ta7s6goqv8oiqbq