Cargando…

Novel cyclohexanone compound as a potential ligand against SARS-CoV-2 main-protease

No commercially available drug candidate has yet been devised which is unique to and not repurposed against SARS-CoV-2 and has high efficacy or safe toxicity profile or both. Taking curcumin as a reference compound, we identified a new commercially available cyclohexanone compound, ZINC07333416 with...

Descripción completa

Detalles Bibliográficos
Autores principales:	Basu, Soumya, Veeraraghavan, Balaji, Ramaiah, Sudha, Anbarasu, Anand
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier Ltd. 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7527826/ https://www.ncbi.nlm.nih.gov/pubmed/33011363 http://dx.doi.org/10.1016/j.micpath.2020.104546

Ejemplares similares

Datasets comprising the quality validations of simulated protein-ligand complexes and SYBYL docking scores of bioactive natural compounds as inhibitors of Mycobacterium tuberculosis protein-targets
por: Miryala, Sravan Kumar, et al.
Publicado: (2022)

Aerobactin Seems To Be a Promising Marker Compared With Unstable RmpA2 for the Identification of Hypervirulent Carbapenem-Resistant Klebsiella pneumoniae: In Silico and In Vitro Evidence
por: Shankar, Chaitra, et al.
Publicado: (2021)

Multi-Epitope Vaccine for Monkeypox Using Pan-Genome and Reverse Vaccinology Approaches
por: Swetha, Rayapadi G., et al.
Publicado: (2022)

Emergence of Meropenem Resistance Among Cefotaxime Non-susceptible Streptococcus pneumoniae: Evidence and Challenges
por: Varghese, Rosemol, et al.
Publicado: (2022)

Insect protease inhibitors; promising inhibitory compounds against SARS-CoV-2 main protease
por: Hemmati, Seyed Ali, et al.
Publicado: (2022)

Impact of the COVID-19 pandemic on routine vaccine landscape: A global perspective
por: Basu, Soumya, et al.
Publicado: (2023)

SARS-CoV-2 Main Protease Active Site Ligands in the Human Metabolome
por: Sardanelli, Anna Maria, et al.
Publicado: (2021)

Analysis of the efficacy of HIV protease inhibitors against SARS-CoV-2′s main protease
por: Mahdi, Mohamed, et al.
Publicado: (2020)

In Silico Identification and Validation of Organic Triazole Based Ligands as Potential Inhibitory Drug Compounds of SARS-CoV-2 Main Protease
por: Sur, Vishma Pratap, et al.
Publicado: (2021)

Molecular docking and ADMET study of bioactive compounds of Glycyrrhiza glabra against main protease of SARS-CoV2
por: Srivastava, Vivek, et al.
Publicado: (2022)

In silico evaluation of the compounds of the ayurvedic drug, AYUSH-64, for the action against the SARS-CoV-2 main protease
por: Ram, Thrigulla Saketh, et al.
Publicado: (2022)

In silico identification of natural compounds against SARS-CoV-2 main protease from Chinese herbal medicines
por: Kuang, Yi, et al.
Publicado: (2023)

Activation and maturation of SARS-CoV main protease
por: Xia, Bin, et al.
Publicado: (2011)

In silico targeting SARS-CoV-2 spike protein and main protease by biochemical compounds
por: Babaeekhou, Laleh, et al.
Publicado: (2021)

A Structural Comparison of SARS-CoV-2 Main Protease and Animal Coronaviral Main Protease Reveals Species-Specific Ligand Binding and Dimerization Mechanism
por: Ho, Chien-Yi, et al.
Publicado: (2022)

Insilico generation of novel ligands for the inhibition of SARS-CoV-2 main protease (3CL(pro)) using deep learning
por: Prabhakaran, Prejwal, et al.
Publicado: (2023)

Computational study on peptidomimetic inhibitors against SARS-CoV-2 main protease
por: Somboon, Tuanjai, et al.
Publicado: (2021)

In-silico screening of naturally derived phytochemicals against SARS-CoV Main protease
por: Mostafa, Islam, et al.
Publicado: (2021)

Acridone Alkaloids: In-Silico Investigation Against SARS-CoV-2 Main Protease
por: Oderinlo, Ogunyemi Olajide, et al.
Publicado: (2022)

The Main Protease of SARS-CoV-2 as a Target for Phytochemicals against Coronavirus
por: Issa, Shaza S., et al.
Publicado: (2022)

Structure and inhibition of SARS-CoV-1 and SARS-CoV-2 main proteases by oral antiviral compound AG7404
por: Fàbrega-Ferrer, Montserrat, et al.
Publicado: (2022)

Plant-derived compounds effectively inhibit the main protease of SARS-CoV-2: An in silico approach
por: Mahmud, Shafi, et al.
Publicado: (2022)

Network metrics, structural dynamics and density functional theory calculations identified a novel Ursodeoxycholic Acid derivative against therapeutic target Parkin for Parkinson's disease
por: Naha, Aniket, et al.
Publicado: (2022)

The SARS-CoV-2 main protease as drug target
por: Ullrich, Sven, et al.
Publicado: (2020)

Topological analysis of SARS CoV-2 main protease
por: Estrada, Ernesto
Publicado: (2020)

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 Hotspots in the Main Protease of SARS-CoV-2
por: Strömich, Léonie, et al.
Publicado: (2022)

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

Organ-specific host differential gene expression analysis in systemic candidiasis: A systems biology approach
por: Miryala, Sravan Kumar, et al.
Publicado: (2022)

In Silico Evaluation of the Effectivity of Approved Protease Inhibitors against the Main Protease of the Novel SARS-CoV-2 Virus
por: Eleftheriou, Phaedra, et al.
Publicado: (2020)

Review on development of potential inhibitors of SARS-CoV-2 main protease (M(Pro))
por: Katre, Soumya Gulab, et al.
Publicado: (2022)

Computational screening for potential drug candidates against the SARS-CoV-2 main protease
por: Silva Andrade, Bruno, et al.
Publicado: (2020)

In silico evaluation of Philippine Natural Products against SARS-CoV-2 Main Protease
por: Cheng, Adrian Josiah T., et al.
Publicado: (2022)

Reframing quercetin as a promiscuous inhibitor against SARS-CoV-2 main protease
por: Yan, Haohao, et al.
Publicado: (2023)

Ligand and structure-based virtual screening applied to the SARS-CoV-2 main protease: an in silico repurposing study
por: Ferraz, Witor Ribeiro, et al.
Publicado: (2020)

In silico screening of antiviral compounds from Moringa oleifera for inhibition of SARS-CoV-2 main protease
por: Sivani, Bala Mohan, et al.
Publicado: (2021)

Potential Resistance of SARS-CoV-2 Main Protease (Mpro) against Protease Inhibitors: Lessons Learned from HIV-1 Protease
por: Mótyán, János András, et al.
Publicado: (2022)

In silico exploration of binding potentials of anti SARS-CoV-1 phytochemicals against main protease of SARS-CoV-2
por: Al-Sehemi, Abdullah G., et al.
Publicado: (2022)

Leucine to proline substitution by SNP at position 197 in Caspase-9 gene expression leads to neuroblastoma: a bioinformatics analysis
por: Kundu, Arpita, et al.
Publicado: (2012)

Cannot write session to /tmp/vufind_sessions/sess_hlmicafuj6ikk6vn5nco81ss1v