Cargando…

Selection of SARS-CoV-2 main protease inhibitor using structure-based virtual screening

Background: Conserved domains within SARS coronavirus 2 nonstructural proteins represent key targets for the design of novel inhibitors. Methods: The authors aimed to identify potential SARS coronavirus 2 NSP5 inhibitors using the ZINC database along with structure-based virtual screening and molecu...

Descripción completa

Detalles Bibliográficos
Autores principales:	Hakami, Abdulrahim R, Bakheit, Ahmed H, Almehizia, Abdulrahman A, Ghazwani, Mohammed Y
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Newlands Press Ltd 2021
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8612299/ https://www.ncbi.nlm.nih.gov/pubmed/34814706 http://dx.doi.org/10.4155/fmc-2020-0380

Ejemplares similares

Virtual Screening of Artemisia annua Phytochemicals as Potential Inhibitors of SARS-CoV-2 Main Protease Enzyme
por: Miandad, Khalid, et al.
Publicado: (2022)

Virtual screening of approved drugs as potential SARS-CoV-2 main protease inhibitors
por: Jiménez-Alberto, Alicia, et al.
Publicado: (2020)

Screening and identification of potential MERS-CoV papain-like protease (PLpro) inhibitors; Steady-state kinetic and Molecular dynamic studies
por: Ali Dahhas, Mohammed, et al.
Publicado: (2023)

Fenoterol and dobutamine as SARS-CoV-2 main protease inhibitors: A virtual screening study
por: Bolelli, Kayhan, et al.
Publicado: (2021)

High Throughput Virtual Screening to Discover Inhibitors of the Main Protease of the Coronavirus SARS-CoV-2
por: Olubiyi, Olujide O., et al.
Publicado: (2020)

Rutin and flavone analogs as prospective SARS-CoV-2 main protease inhibitors: In silico drug discovery study
por: Ibrahim, Mahmoud A.A., et al.
Publicado: (2021)

Biochemical screening for SARS-CoV-2 main protease inhibitors
por: Coelho, Camila, et al.
Publicado: (2020)

Virtual screening of peptides with high affinity for SARS-CoV-2 main protease
por: Porto, William Farias
Publicado: (2021)

Identification of repurposing therapeutics toward SARS-CoV-2 main protease by virtual screening
por: Sanachai, Kamonpan, et al.
Publicado: (2022)

Blue Biotechnology: Computational Screening of Sarcophyton Cembranoid Diterpenes for SARS-CoV-2 Main Protease Inhibition
por: Ibrahim, Mahmoud A. A., et al.
Publicado: (2021)

Discovery of novel inhibitors against main protease (Mpro) of SARS-CoV-2 via virtual screening and biochemical evaluation
por: Guo, Sheng, et al.
Publicado: (2021)

Structure-Based Virtual Screening and Biochemical Validation to Discover a Potential Inhibitor of the SARS-CoV-2 Main Protease
por: Gupta, Akshita, et al.
Publicado: (2020)

Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses
por: Luttens, Andreas, et al.
Publicado: (2022)

Discovery of novel SARS-CoV-2 inhibitors targeting the main protease M(pro) by virtual screenings and hit optimization
por: Mercorelli, Beatrice, et al.
Publicado: (2022)

Identification of highly effective inhibitors against SARS-CoV-2 main protease: From virtual screening to in vitro study
por: Wang, Hu, et al.
Publicado: (2022)

Finding potential inhibitors for Main protease (Mpro) of SARS-CoV-2 through virtual screening and MD simulation studies
por: Ahamed, N. Anis, et al.
Publicado: (2023)

In Silico Prediction of Novel Inhibitors of SARS-CoV-2 Main Protease through Structure-Based Virtual Screening and Molecular Dynamic Simulation
por: Halim, Sobia Ahsan, et al.
Publicado: (2021)

Screening and evaluation of approved drugs as inhibitors of main protease of SARS-CoV-2
por: Tripathi, Praveen Kumar, et al.
Publicado: (2020)

Virtual screening for small molecular non-covalent binders of the SARS-CoV-2 main protease
por: Lipiński, Piotr F.J., et al.
Publicado: (2021)

Pharmacophore based virtual screening for natural product database revealed possible inhibitors for SARS-COV-2 main protease
por: El-Ashrey, Mohamed K., et al.
Publicado: (2022)

Potential SARS-CoV-2 main protease inhibitors
por: Banerjee, Riddhidev, et al.
Publicado: (2021)

Developing inhibitors of the SARS-CoV-2 main protease
por: Seitz, Christian, et al.
Publicado: (2022)

Allosteric inhibitors of the main protease of SARS-CoV-2
por: Samrat, Subodh Kumar, et al.
Publicado: (2022)

Structure-based virtual screening and molecular dynamics simulation studies to discover new SARS-CoV-2 main protease inhibitors
por: Ibezim, A., et al.
Publicado: (2021)

Consensus virtual screening of dark chemical matter and food chemicals uncover potential inhibitors of SARS-CoV-2 main protease
por: Santibáñez-Morán, Marisa G., et al.
Publicado: (2020)

Identification of Pyrazole Derivatives of Usnic Acid as Novel Inhibitor of SARS-CoV-2 Main Protease Through Virtual Screening Approaches
por: Roney, Miah, et al.
Publicado: (2023)

Nanomaterials-Based Novel Immune Strategies in Clinical Translation for Cancer Therapy
por: Wahab, Shadma, et al.
Publicado: (2023)

Apigenin analogues as SARS-CoV-2 main protease inhibitors: In-silico screening approach
por: Farhat, Ameny, et al.
Publicado: (2022)

High-throughput screening of SARS-CoV-2 main and papain-like protease inhibitors
por: Zang, Yi, et al.
Publicado: (2022)

Screening, molecular simulation & in silico kinetics of virtually designed covid-19 main protease inhibitors
por: Aleissa, Mohammed S., et al.
Publicado: (2022)

Antiviral evaluation of hydroxyethylamine analogs: Inhibitors of SARS-CoV-2 main protease (3CLpro), a virtual screening and simulation approach
por: Gupta, Yash, et al.
Publicado: (2021)

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)

Identification of non-covalent SARS-CoV-2 main protease inhibitors by a virtual screen of commercially available drug-like compounds
por: Zhang, Linlin, et al.
Publicado: (2021)

Virtual and In Vitro Screening of Natural Products Identifies Indole and Benzene Derivatives as Inhibitors of SARS-CoV-2 Main Protease (M(pro))
por: Ang, Dony, et al.
Publicado: (2023)

Identification of promising high-affinity inhibitors of SARS-CoV-2 main protease from African Natural Products Databases by Virtual Screening
por: DIABATE, Oudou, et al.
Publicado: (2023)

Computer-aided drug design for virtual-screening and active-predicting of main protease (M(pro)) inhibitors against SARS-CoV-2
por: Dai, Renhui, et al.
Publicado: (2023)

Discovery and Mechanism of SARS-CoV-2 Main Protease Inhibitors
por: Huff, Sarah, et al.
Publicado: (2021)

Fullerene derivatives as inhibitors of the SARS-CoV-2 main protease
por: Katagishi, Daiki, et al.
Publicado: (2023)

Potent and biostable inhibitors of the main protease of SARS-CoV-2
por: Tsuji, Kohei, et al.
Publicado: (2022)

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

Cannot write session to /tmp/vufind_sessions/sess_k0alup1hpbcfltlvkoiqfm4aj0