Cargando…

Non-covalent SARS-CoV-2 M(pro) inhibitors developed from in silico screen hits

M(pro), the main protease of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), is essential for the viral life cycle. Accordingly, several groups have performed in silico screens to identify M(pro) inhibitors that might be used to treat SARS-CoV-2 infections. We selected more than fi...

Descripción completa

Detalles Bibliográficos
Autores principales:	Rossetti, Giacomo G., Ossorio, Marianna A., Rempel, Stephan, Kratzel, Annika, Dionellis, Vasilis S., Barriot, Samia, Tropia, Laurence, Gorgulla, Christoph, Arthanari, Haribabu, Thiel, Volker, Mohr, Peter, Gamboni, Remo, Halazonetis, Thanos D.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8847420/ https://www.ncbi.nlm.nih.gov/pubmed/35169179 http://dx.doi.org/10.1038/s41598-022-06306-4

Ejemplares similares

Genomic Instability Profiles at the Single Cell Level in Mouse Colorectal Cancers of Defined Genotypes
por: Dionellis, Vasilis S., et al.
Publicado: (2021)

Accounting of Receptor Flexibility in Ultra-Large Virtual Screens with VirtualFlow Using a Grey Wolf Optimization Method
por: Gorgulla, Christoph, et al.
Publicado: (2020)

VirtualFlow Ants—Ultra-Large Virtual Screenings with Artificial Intelligence Driven Docking Algorithm Based on Ant Colony Optimization
por: Gorgulla, Christoph, et al.
Publicado: (2021)

RTN3 and RTN4: Architects of SARS-CoV-2 replication organelles
por: Kratzel, Annika, et al.
Publicado: (2023)

The metaphorical swiss army knife: The multitude and diverse roles of HEAT domains in eukaryotic translation initiation
por: Friedrich, Daniel, et al.
Publicado: (2022)

Spotlight on the Ballet of Proteins: The Structural Dynamic Properties of Proteins Illuminated by Solution NMR
por: Tokunaga, Yuji, et al.
Publicado: (2020)

The role of NMR in leveraging dynamics and entropy in drug design
por: Dubey, Abhinav, et al.
Publicado: (2020)

Coronavirus biology and replication: implications for SARS-CoV-2
por: V’kovski, Philip, et al.
Publicado: (2020)

Mitotic DNA synthesis is caused by transcription-replication conflicts in BRCA2-deficient cells
por: Groelly, Florian J., et al.
Publicado: (2022)

PAC-FragmentDEL – photoactivated covalent capture of DNA-encoded fragments for hit discovery
por: Ma, Huiyong, et al.
Publicado: (2022)

Mammalian RAD52 Functions in Break-Induced Replication Repair of Collapsed DNA Replication Forks
por: Sotiriou, Sotirios K., et al.
Publicado: (2016)

Emerging common themes in regulation of PIKKs and PI3Ks
por: Lempiäinen, Harri, et al.
Publicado: (2009)

Intragenic origins due to short G1 phases underlie oncogene-induced DNA replication stress
por: Macheret, Morgane, et al.
Publicado: (2018)

DNA replication stress as an Achilles' heel of cancer
por: Da-Rè, Caterina, et al.
Publicado: (2014)

An open-source drug discovery platform enables ultra-large virtual screens
por: Gorgulla, Christoph, et al.
Publicado: (2020)

Selective Methyl Labeling of Eukaryotic Membrane Proteins Using Cell-Free Expression
por: Linser, Rasmus, et al.
Publicado: (2014)

A Model to Investigate Single-Strand DNA Responses in G1 Human Cells via a Telomere-Targeted, Nuclease-Deficient CRISPR-Cas9 System
por: Crefcoeur, Remco P., et al.
Publicado: (2017)

Identification of DNA primase inhibitors via a combined fragment-based and virtual screening
por: Ilic, Stefan, et al.
Publicado: (2016)

A small molecule exerts selective antiviral activity by targeting the human cytomegalovirus nuclear egress complex
por: Chen, Han, et al.
Publicado: (2023)

Structural basis for LeishIF4E-1 modulation by an interacting protein in the human parasite Leishmania major
por: Meleppattu, Shimi, et al.
Publicado: (2018)

The structural determinants of PH domain-mediated regulation of Akt revealed by segmental labeling
por: Chu, Nam, et al.
Publicado: (2020)

Temperature-dependent surface stability of SARS-CoV-2
por: Kratzel, Annika, et al.
Publicado: (2020)

The two-hit theory hits 50
por: Chernoff, Jonathan
Publicado: (2021)

Solution Structure of the Cuz1 AN1 Zinc Finger Domain: An Exposed LDFLP Motif Defines a Subfamily of AN1 Proteins
por: Sun, Zhen-Yu J., et al.
Publicado: (2016)

Optimal control theory enables homonuclear decoupling without Bloch–Siegert shifts in NMR spectroscopy
por: Coote, Paul W., et al.
Publicado: (2018)

Genome Sequencing of five Lacticaseibacillus Strains and Analysis of Type I and II Toxin-Antitoxin System Distribution
por: Levante, Alessia, et al.
Publicado: (2021)

P53 Binding Protein 1 (53bp1) Is an Early Participant in the Cellular Response to DNA Double-Strand Breaks
por: Schultz, Linda B., et al.
Publicado: (2000)

Ubiquitin-H2AX fusions render 53BP1 recruitment to DNA damage sites independent of RNF8 or RNF168
por: Kocyłowski, Maciej K, et al.
Publicado: (2015)

Modulation of RNA primer formation by Mn(II)-substituted T7 DNA primase
por: Ilic, Stefan, et al.
Publicado: (2017)

The two "hit" and multiple "hit" theories of carcinogenesis.
por: Ashley, D. J.
Publicado: (1969)

A Hit, a Hit—A Very Palpable Hit: Mild TBI and the Development of Epilepsy
por: Danzer, Steve C.
Publicado: (2019)

P1674: CLINICAL IMPACT OF NON-ADHERENCE TO HIT GUIDELINES: A DOUBLE HIT IN HIT
por: Al Raizah, A., et al.
Publicado: (2022)

Mixed pyruvate labeling enables backbone resonance assignment of large proteins using a single experiment
por: Robson, Scott A., et al.
Publicado: (2018)

PH domain-mediated autoinhibition and oncogenic activation of Akt
por: Bae, Hwan, et al.
Publicado: (2022)

A multi-pronged approach targeting SARS-CoV-2 proteins using ultra-large virtual screening
por: Gorgulla, Christoph, et al.
Publicado: (2020)

A multi-pronged approach targeting SARS-CoV-2 proteins using ultra-large virtual screening
por: Gorgulla, Christoph, et al.
Publicado: (2021)

High-resolution mapping of mitotic DNA synthesis under conditions of replication stress in cultured cells
por: Groelly, Florian J., et al.
Publicado: (2023)

Greatest hits
Publicado: (1991)

Greatest Hits
por: Washington, Dinah, 1924-1963
Publicado: (1963)

Greatest hits.
Publicado: (1989)

Cannot write session to /tmp/vufind_sessions/sess_69j7ei4da129uutnor34icq784