Cargando…

The SARS-Cov-2 Proliferation Blocked by a Novel and Potent Main Protease Inhibitor via Computer-aided Drug Design

The recent prevalence of novel “coronavirus disease 2019” has expanded quickly globally, causing a universal pandemic. Herein, an effort was constructed to design a potent drug to inhibit the main protease of SARS-Cov-2 (3CLp) by means of structure-based drug design. A large library of the compounds...

Descripción completa

Detalles Bibliográficos
Autores principales:	Shayan, Sepideh, Jamaran, Shahab, Askandar, Rafee Habib, Rahimi, Arian, Elahi, Azam, Farshadfar, Chiako, Ardalan, Noeman
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Shaheed Beheshti University of Medical Sciences 2021
Materias:	Original Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8653640/ https://www.ncbi.nlm.nih.gov/pubmed/34903997 http://dx.doi.org/10.22037/ijpr.2021.114846.15061

Ejemplares similares

Xanthohumol Is a Potent Pan-Inhibitor of Coronaviruses Targeting Main Protease
por: Lin, Yuxi, et al.
Publicado: (2021)

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

Repurposing Halicin as a potent covalent inhibitor for the SARS-CoV-2 main protease
por: Yang, Kai S., et al.
Publicado: (2022)

Diastereomeric Resolution Yields Highly Potent Inhibitor of SARS-CoV-2 Main Protease
por: Cooper, Mark S., 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)

SARS-CoV-2 main protease targeting potent fluorescent inhibitors: Repurposing thioxanthones
por: BATIBAY, Gönül S., et al.
Publicado: (2023)

Computational investigations of three main drugs and their comparison with synthesized compounds as potent inhibitors of SARS-CoV-2 main protease (M(pro)): DFT, QSAR, molecular docking, and in silico toxicity analysis
por: Mohapatra, Ranjan K., et al.
Publicado: (2021)

Development of Escherichia coli asparaginase II for the Treatment of Acute Lymphocytic Leukemia: In Silico Reduction of asparaginase II Side Effects by a Novel Mutant (V27F)
por: Ardalan, Noeman, et al.
Publicado: (2021)

In Silico Study of Coumarins and Quinolines Derivatives as Potent Inhibitors of SARS-CoV-2 Main Protease
por: Yañez, Osvaldo, et al.
Publicado: (2021)

Discovery of 4′-O-methylscutellarein as a potent SARS-CoV-2 main protease inhibitor
por: Wu, Qianqian, et al.
Publicado: (2022)

Anisodamine potently inhibits SARS-CoV-2 infection in vitro and targets its main protease
por: Wei, Wei, et al.
Publicado: (2022)

Discovery of potent benzoxaborole inhibitors against SARS-CoV-2 main and dengue virus proteases
por: Kühl, Nikos, et al.
Publicado: (2022)

Mutation of Glu-166 Blocks the Substrate-Induced Dimerization of SARS Coronavirus Main Protease
por: Cheng, Shu-Chun, et al.
Publicado: (2010)

In silico analysis of Phyllanthus amarus phytochemicals as potent drugs against SARS-CoV-2 main protease
por: Murthy, T.P. Krishna, et al.
Publicado: (2021)

Rational design of potent anti-COVID-19 main protease drugs: An extensive multi-spectrum in silico approach
por: Ahmad, Sajjad, et al.
Publicado: (2021)

From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease †
por: Göhl, Matthias, et al.
Publicado: (2022)

DFT investigations and molecular docking as potent inhibitors of SARS-CoV-2 main protease of 4-phenylpyrimidine
por: Celik, Sibel
Publicado: (2023)

Screening of Potent Phytochemical Inhibitors Against SARS-CoV-2 Main Protease: An Integrative Computational Approach
por: Mahmud, Shafi, et al.
Publicado: (2021)

NMR Observation of Sulfhydryl Signals in SARS‐CoV‐2 Main Protease Aids Structural Studies
por: Robertson, Angus J., et al.
Publicado: (2022)

Identification of alkaloids from Justicia adhatoda as potent SARS CoV-2 main protease inhibitors: An in silico perspective
por: Ghosh, Rajesh, et al.
Publicado: (2021)

Identification of saquinavir as a potent inhibitor of dimeric SARS-CoV2 main protease through MM/GBSA
por: Bello, Martiniano, et al.
Publicado: (2020)

COVID-19: In silico identification of potent α-ketoamide inhibitors targeting the main protease of the SARS-CoV-2
por: Oubahmane, Mehdi, et al.
Publicado: (2021)

Phytoconstituents from ten natural herbs as potent inhibitors of main protease enzyme of SARS-COV-2: In silico study
por: Kumar, Nitish, et al.
Publicado: (2021)

Plant-Based Phytochemical Screening by Targeting Main Protease of SARS-CoV-2 to Design Effective Potent Inhibitors
por: Mahmud, Shafi, et al.
Publicado: (2021)

Exploration of Potent Antiviral Phytomedicines from Lauraceae Family Plants against SARS-CoV-2 Main Protease
por: Bora, Himashree, et al.
Publicado: (2022)

Creating a ‘Molecular Band-Aid’; Blocking an Exposed Protease Target Site in Desmoplakin
por: Hoover, Catherine A., et al.
Publicado: (2021)

Host Serine Proteases: A Potential Targeted Therapy for COVID-19 and Influenza
por: Rahbar Saadat, Yalda, et al.
Publicado: (2021)

Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication
por: Vuong, Wayne, et al.
Publicado: (2020)

A Computer-Aided Approach for the Discovery of D-Peptides as Inhibitors of SARS-CoV-2 Main Protease
por: Hernández González, Jorge E., et al.
Publicado: (2022)

Asunaprevir, a Potent Hepatitis C Virus Protease Inhibitor, Blocks SARS-CoV-2 Propagation
por: Lim, Yun-Sook, et al.
Publicado: (2021)

Omicsynin B4 potently blocks coronavirus infection by inhibiting host proteases cathepsin L and TMPRSS2
por: Li, Yihua, et al.
Publicado: (2023)

The clonal relationship among the Citrobacter freundii isolated from the main hospital in Kermanshah, west of Iran
por: Rezaei, Mansour, et al.
Publicado: (2016)

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)

An Enhanced Hybrid Screening Approach to Identify Potent Inhibitors for the SARS-CoV-2 Main Protease From the NCI Compound Library
por: Li, Shuhua G., et al.
Publicado: (2022)

Structural dynamics of COVID-19 main protease
por: Shekaari, Ashkan, et al.
Publicado: (2021)

Quaternary Structure of the SARS Coronavirus Main Protease
por: Chang, Gu-Gang
Publicado: (2009)

Author Correction: Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication
por: Vuong, Wayne, et al.
Publicado: (2020)

Flavonoid compounds of buah merah (Pandanus conoideus Lamk) as a potent SARS-CoV-2 main protease inhibitor: in silico approach
por: Umar, Abd. Kakhar
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)

Phenylpyrazolone-1,2,3-triazole Hybrids as Potent Antiviral Agents with Promising SARS-CoV-2 Main Protease Inhibition Potential
por: Musa, Arafa, et al.
Publicado: (2023)

Cannot write session to /tmp/vufind_sessions/sess_qd02sm5fcc3p5lhea6npu00g3s