Cargando…

Investigation of Thiocarbamates as Potential Inhibitors of the SARS-CoV-2 Mpro

In the present study we tested, using the microscale thermophoresis technique, a small library of thionocarbamates, thiolocarbamates, sulfide and disulfide as potential lead compounds for SARS-CoV-2 Mpro drug design. The successfully identified binder is a representative of the thionocarbamates grou...

Descripción completa

Detalles Bibliográficos
Autores principales:	Papaj, Katarzyna, Spychalska, Patrycja, Hopko, Katarzyna, Kapica, Patryk, Fisher, Andre, Lill, Markus A., Bagrowska, Weronika, Nowak, Jakub, Szleper, Katarzyna, Smieško, Martin, Kasprzycka, Anna, Góra, Artur
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Communication
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8621115/ https://www.ncbi.nlm.nih.gov/pubmed/34832935 http://dx.doi.org/10.3390/ph14111153

Ejemplares similares

Evaluation of Xa inhibitors as potential inhibitors of the SARS-CoV-2 Mpro protease
por: Papaj, Katarzyna, et al.
Publicado: (2022)

Transient binding sites at the surface of haloalkane dehalogenase LinB as locations for fine-tuning enzymatic activity
por: Raczyńska, Agata, et al.
Publicado: (2023)

Synthesis and Preliminary Anticancer Activity Assessment of N-Glycosides of 2-Amino-1,3,4-thiadiazoles
por: Żurawska, Katarzyna, et al.
Publicado: (2021)

Structure-function relationship between soluble epoxide hydrolases structure and their tunnel network
por: Mitusińska, Karolina, et al.
Publicado: (2021)

Recent Advances in Studying Toll-like Receptors with the Use of Computational Methods
por: Bzówka, Maria, et al.
Publicado: (2023)

Effect of Selected Silyl Groups on the Anticancer Activity of 3,4-Dibromo-5-Hydroxy-Furan-2(5H)-One Derivatives
por: Kitel, Radoslaw, et al.
Publicado: (2021)

Applications of water molecules for analysis of macromolecule properties
por: Mitusińska, Karolina, et al.
Publicado: (2020)

Catalytic Hydrogenation of Thioesters, Thiocarbamates, and Thioamides
por: Luo, Jie, et al.
Publicado: (2020)

Synthesis and Photoreactivity of 7-Nitroindoline-S-thiocarbamates
por: Baily, Philip T., et al.
Publicado: (2023)

Structure-Guided Engineering of Molinate Hydrolase for the Degradation of Thiocarbamate Pesticides
por: Leite, José P., et al.
Publicado: (2015)

AQUA-DUCT 1.0: structural and functional analysis of macromolecules from an intramolecular voids perspective
por: Magdziarz, Tomasz, et al.
Publicado: (2020)

Evolution of tunnels in α/β-hydrolase fold proteins—What can we learn from studying epoxide hydrolases?
por: Bzówka, Maria, et al.
Publicado: (2022)

Structural and Evolutionary Analysis Indicate That the SARS-CoV-2 Mpro Is a Challenging Target for Small-Molecule Inhibitor Design
por: Bzówka, Maria, et al.
Publicado: (2020)

Computational Selectivity Assessment of Protease Inhibitors against SARS-CoV-2
por: Fischer, André, et al.
Publicado: (2021)

Correction: Masking thiol reactivity with thioamide, thiourea, and thiocarbamate-based MBPs
por: Seo, Hyeonglim, et al.
Publicado: (2023)

(E)-O-Isopropyl N-(4-nitrophenyl)thiocarbamate
por: Ellis, Carol A., et al.
Publicado: (2007)

Thiocarbamate-Linked Polysulfonate–Peptide Conjugates As Selective Hepatocyte Growth Factor Receptor Binders
por: Besret, Soizic, et al.
Publicado: (2014)

Crystal structure of O-ethyl N-(ethoxycarbonyl)thiocarbamate
por: Henley, Matthew J., et al.
Publicado: (2015)

Novel Cholinesterase Inhibitors Based on O-Aromatic N,N-Disubstituted Carbamates and Thiocarbamates
por: Krátký, Martin, et al.
Publicado: (2016)

Thiocarbamates from Moringa oleifera Seeds Bioactive against Virulent and Multidrug-Resistant Vibrio Species
por: Albuquerque Costa, Renata, et al.
Publicado: (2017)

Chitosan-Based Bio-Composite Modified with Thiocarbamate Moiety for Decontamination of Cations from the Aqueous Media
por: Ali, Nisar, et al.
Publicado: (2020)

Isotherm and Kinetic Study of Metal Ions Sorption on Mustard Waste Biomass Functionalized with Polymeric Thiocarbamate
por: Bulgariu, Dumitru, et al.
Publicado: (2023)

Self-Immolative Thiocarbamates Provide Access to Triggered H(2)S Donors and Analyte Replacement Fluorescent Probes
por: Steiger, Andrea K., et al.
Publicado: (2016)

IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. Vol. 12. Some Carbamates, Thiocarbamates and Carbazides (1976)
por: Craig, A. W.
Publicado: (1977)

Advances in the Development of SARS-CoV-2 Mpro Inhibitors
por: Agost-Beltrán, Laura, et al.
Publicado: (2022)

Physicochemical Characteristics of Biochar from Waste Cricket Chitin (Acheta domesticus)
por: Różyło, Krzysztof, et al.
Publicado: (2022)

A year in the life of SARS-CoV-2 Mpro: molecular modeling and analysis of clinically observed Mpro variants from the first year of the COVID-19 pandemic
por: Diessner, Elizabeth M., et al.
Publicado: (2022)

Changes in Muscle Pattern Activity during the Asymmetric Flat Bench Press (Offset Training)
por: Jarosz, Jakub, et al.
Publicado: (2020)

Phenolic acid content, antioxidant and cytotoxic activities of four Kalanchoë species
por: Bogucka-Kocka, Anna, et al.
Publicado: (2018)

Mono- and di-thiocarbamate inhibition studies of the δ-carbonic anhydrase TweCAδ from the marine diatom Thalassiosira weissflogii
por: Bua, Silvia, et al.
Publicado: (2018)

Binding of inhibitors to the monomeric and dimeric SARS-CoV-2 Mpro
por: Tam, Nguyen Minh, et al.
Publicado: (2021)

Fragment-based design of SARS-CoV-2 Mpro inhibitors
por: Teli, Divya M., et al.
Publicado: (2022)

Studies on antiviral resistant SARS-CoV-2 Mpro mutants
por: Esler, Morgan A., et al.
Publicado: (2023)

Selenium, Copper, Zinc Concentrations and Cu/Zn, Cu/Se Molar Ratios in the Serum of Patients with Acute Ischemic Stroke in Northeastern Poland—A New Insight into Stroke Pathophysiology
por: Mirończuk, Anna, et al.
Publicado: (2021)

Biological Evaluation and Docking Studies of New Carbamate, Thiocarbamate, and Hydrazide Analogues of Acyl Homoserine Lactones as Vibrio fischeri-Quorum Sensing Modulators
por: Zhang, Qiang, et al.
Publicado: (2020)

Application of LCA Method for Assessment of Environmental Impacts of a Polylactide (PLA) Bottle Shaping
por: Bałdowska-Witos, Patrycja, et al.
Publicado: (2020)

In silico studies on stilbenolignan analogues as SARS-CoV-2 Mpro inhibitors
por: Cetin, Adnan
Publicado: (2021)

Potential inhibitors for SARS-CoV-2 Mpro from marine compounds
por: Tam, Nguyen Minh, et al.
Publicado: (2021)

Biochemical and structural insights into SARS-CoV-2 polyprotein processing by Mpro
por: Yadav, Ruchi, et al.
Publicado: (2022)

Reynoutria Rhizomes as a Natural Source of SARS-CoV-2 Mpro Inhibitors–Molecular Docking and In Vitro Study
por: Nawrot-Hadzik, Izabela, et al.
Publicado: (2021)

Cannot write session to /tmp/vufind_sessions/sess_hbs78kj0a4666shrmijrbmac6h