Cargando…

Repurposing the inhibitors of COVID-19 key proteins through molecular docking approach

The severe acute respiratory syndrome coronavirus 2, famous as COVID-19, has recently emerged as a novel virus and imposed an unrecoverable loss to global health and the economy. At present, no effective drug against COVID-19 is available and currently available viral drugs targeting the viral key p...

Descripción completa

Detalles Bibliográficos
Autores principales:	Alghamdi, Huda Ahmed, Attique, Syed Awais, Yan, Wei, Arooj, Anam, Albulym, Obaid, Zhu, Daochen, Bilal, Muhammad, Nawaz, Muhammad Zohaib
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier Ltd. 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8367655/ https://www.ncbi.nlm.nih.gov/pubmed/34421325 http://dx.doi.org/10.1016/j.procbio.2021.08.015

Ejemplares similares

A Molecular Docking Approach to Evaluate the Pharmacological Properties of Natural and Synthetic Treatment Candidates for Use against Hypertension
por: Attique, Syed Awais, et al.
Publicado: (2019)

Understanding Interaction Patterns within Deep-Sea Microbial Communities and Their Potential Applications
por: Nawaz, Muhammad Zohaib, et al.
Publicado: (2022)

Synthesis of Thymidine Phosphorylase Inhibitor Based on Quinoxaline Derivatives and Their Molecular Docking Study
por: Almandil, Noor Barak, et al.
Publicado: (2019)

Molecular Docking Based Screening of Plant Flavonoids as Dengue NS1 Inhibitors
por: Qamar, Muhammad Tahir ul, et al.
Publicado: (2014)

Screening of potential inhibitors of COVID-19 with repurposing approach via molecular docking
por: Alizadehmohajer, Negin, et al.
Publicado: (2022)

Main protease inhibitors and drug surface hotspots for the treatment of COVID-19: A drug repurposing and molecular docking approach
por: Hasan, Mahmudul, 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)

In silico analysis and molecular docking studies of potential angiotensin-converting enzyme inhibitor using quercetin glycosides
por: Muhammad, Syed Aun, et al.
Publicado: (2015)

Identification of Inhibitor Binding Site in Human Sirtuin 2 Using Molecular Docking and Dynamics Simulations
por: Sakkiah, Sugunadevi, et al.
Publicado: (2013)

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)

In silico prediction of potential inhibitors for SARS-CoV-2 Omicron variant using molecular docking and dynamics simulation-based drug repurposing
por: Mohamed, Eslam A. R., et al.
Publicado: (2023)

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)

The MFN2 V705I Variant Is Not a Disease-Causing Mutation: A Segregation Analysis in a CMT2 Family
por: Albulym, Obaid M., et al.
Publicado: (2013)

Molecular docking study of P4-Benzoxaborolesubstituted ligands as inhibitors of HCV NS3/4A protease
por: Wadood, Abdul, et al.
Publicado: (2013)

Repurposing of known drugs for COVID-19 using molecular docking and simulation analysis
por: Bhanu1, Piyush, et al.
Publicado: (2023)

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)

Discovery of anti-MERS-CoV small covalent inhibitors through pharmacophore modeling, covalent docking and molecular dynamics simulation
por: Alamri, Mubarak A., et al.
Publicado: (2021)

Synthesis, in vitro urease inhibitory potential and molecular docking study of benzofuran-based-thiazoldinone analogues
por: Taha, Muhammad, et al.
Publicado: (2020)

Synthesis of new isoquinoline-base-oxadiazole derivatives as potent inhibitors of thymidine phosphorylase and molecular docking study
por: Zaman, Khalid, et al.
Publicado: (2019)

Novel oxadiazole derivatives as potent inhibitors of α-amylase and α-glucosidase enzymes: Synthesis, in vitro evaluation, and molecular docking studies
por: Bukhari, Asma, 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)

Biochemical characterization, cytotoxic, antimutagenic, anticancer and molecular docking studies on Tecomella undulata
por: Riaz, Sana, et al.
Publicado: (2022)

Repurposing of known anti-virals as potential inhibitors for SARS-CoV-2 main protease using molecular docking analysis
por: Hakmi, Mohammed, et al.
Publicado: (2020)

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)

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

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

Synthesis, Physicochemical Characterization, Biological Evaluation, In Silico and Molecular Docking Studies of Pd(II) Complexes with P, S-Donor Ligands
por: Khan, Hizbullah, et al.
Publicado: (2023)

Synthesis of novel coumarin–hydrazone hybrids as α-glucosidase inhibitors and their molecular docking studies
por: Tariq, Hafiza Zara, et al.
Publicado: (2023)

Key Topics in Molecular Docking for Drug Design
por: Torres, Pedro H. M., et al.
Publicado: (2019)

Repurposing benzimidazole and benzothiazole derivatives as potential inhibitors of SARS-CoV-2: DFT, QSAR, molecular docking, molecular dynamics simulation, and in-silico pharmacokinetic and toxicity studies
por: Mohapatra, Ranjan K., et al.
Publicado: (2021)

Combined 3D-QSAR, molecular docking and dynamics simulations studies to model and design TTK inhibitors
por: Ashraf, Noureen, et al.
Publicado: (2022)

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)

Molecular Docking of Aromatase Inhibitors
por: Suvannang, Naravut, et al.
Publicado: (2011)

Analysis of Brain MRI Images Using Improved CornerNet Approach
por: Nawaz, Marriam, et al.
Publicado: (2021)

Repurposing FDA Approved Drugs as JNK3 Inhibitor for Prevention of Neuroinflammation Induced by MCAO in Rats
por: Zulfiqar, Zikra, et al.
Publicado: (2020)

Carvacrol derivatives as mushroom tyrosinase inhibitors; synthesis, kinetics mechanism and molecular docking studies
por: Ashraf, Zaman, et al.
Publicado: (2017)

Molecular docking studies for the identification of novel melatoninergic inhibitors for acetylserotonin-O-methyltransferase using different docking routines
por: Azam, Syed Sikander, et al.
Publicado: (2013)

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)

Prediction of potential inhibitors for RNA-dependent RNA polymerase of SARS-CoV-2 using comprehensive drug repurposing and molecular docking approach
por: Parvez, Md. Sorwer Alam, et al.
Publicado: (2020)

Synthesis, anti-leishmanial and molecular docking study of bis-indole derivatives
por: Taha, Muhammad, et al.
Publicado: (2019)

Cannot write session to /tmp/vufind_sessions/sess_rd9b6jj89tqrfp3dugjlga43sn