Cargando…

Comprehensive virtual screening of 4.8k flavonoids reveals novel insights into the allosteric inhibition of SARS-CoV-2 M(PRO)

Detalles Bibliográficos
Autores principales:	Paula Vargas Ruiz, Ana, Jiménez Avalos, Gabriel, Delgado, Nicolás E., Olivos Ramírez, Gustavo, Sheen, Patricia, Quiliano, Miguel, Zimic, Mirko
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Biophysical Society. Published by Elsevier Inc. 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8833054/ http://dx.doi.org/10.1016/j.bpj.2021.11.1075

Ejemplares similares

Comprehensive virtual screening of 4.8 k flavonoids reveals novel insights into allosteric inhibition of SARS-CoV-2 M(PRO)
por: Jiménez-Avalos, Gabriel, et al.
Publicado: (2021)

Identifying RO9021 as a Potential Inhibitor of PknG from Mycobacterium tuberculosis: Combinative Computational and In Vitro Studies
por: Arica-Sosa, Alicia, et al.
Publicado: (2022)

Mathematical algorithm for the automatic recognition of intestinal parasites
por: Alva, Alicia, et al.
Publicado: (2017)

Structure-Activity relationship in mutated pyrazinamidases from Mycobacterium tuberculosis
por: Quiliano, Miguel, et al.
Publicado: (2011)

Immunoinformatics prediction of linear epitopes from Taenia solium TSOL18
por: Zimic, Mirko, et al.
Publicado: (2011)

Automatic diagnostics of tuberculosis using convolutional neural networks analysis of MODS digital images
por: Lopez-Garnier, Santiago, et al.
Publicado: (2019)

Assembly and phylogeographical analysis of novel Taenia solium mitochondrial genomes suggest stratification within the African-American genotype
por: Jiménez-Avalos, Gabriel, et al.
Publicado: (2023)

Prediction of Mycobacterium tuberculosis pyrazinamidase function based on structural stability, physicochemical and geometrical descriptors
por: Supo-Escalante, Rydberg Roman, et al.
Publicado: (2020)

Allosteric Sensitization of Pro-Apoptotic BAX
por: Pritz, Jonathan R., et al.
Publicado: (2017)

Molecular distribution of amino acid substitutions on neuraminidase from the 2009 (H1N1) human influenza pandemic virus
por: Quiliano, MiguelMiguel, et al.
Publicado: (2013)

Flavonoid allosteric modulation of mutated visual rhodopsin associated with retinitis pigmentosa
por: Herrera-Hernández, María Guadalupe, et al.
Publicado: (2017)

Determination of Potentially Novel Compensatory Mutations in rpoC Associated with Rifampin Resistance and rpoB Mutations in Mycobacterium tuberculosis Clinical Isolates from Peru
por: Vargas, Ana Paula, et al.
Publicado: (2020)

FlavonoidSearch: A system for comprehensive flavonoid annotation by mass spectrometry
por: Akimoto, Nayumi, et al.
Publicado: (2017)

An electrochemical biosensor for the detection of Mycobacterium tuberculosis DNA from sputum and urine samples
por: Ramos-Sono, Daniel, et al.
Publicado: (2020)

ASD: a comprehensive database of allosteric proteins and modulators
por: Huang, Zhimin, et al.
Publicado: (2011)

Direct Determination of Pyrazinamide (PZA) Susceptibility by Sputum Microscopic Observation Drug Susceptibility (MODS) Culture at Neutral pH: the MODS-PZA Assay
por: Alcántara, Roberto, et al.
Publicado: (2020)

Electrochemistry of Flavonoids: A Comprehensive Review
por: Chiorcea-Paquim, Ana-Maria
Publicado: (2023)

MODS-Wayne, a Colorimetric Adaptation of the Microscopic-Observation Drug Susceptibility (MODS) Assay for Detection of Mycobacterium tuberculosis Pyrazinamide Resistance from Sputum Samples
por: Alcántara, Roberto, et al.
Publicado: (2019)

A Complementary Mechanism of Bacterial mRNA Translation Inhibition by Tetracyclines
por: Barrenechea, Victor, et al.
Publicado: (2021)

Folded gastrulation and T48 drive the evolution of coordinated mesoderm internalization in flies
por: Urbansky, Silvia, et al.
Publicado: (2016)

Requiem, op. 48
por: Fauré, Gabriel, 1845-1924
Publicado: (1986)

Requiem, op. 48 /
por: Fauré, Gabriel, 1845-1924
Publicado: (1986)

Requiem, op. 48 /
por: Fauré, Gabriel, 1845-1924
Publicado: (1988)

Comprehensive in vitro pro‐arrhythmic assays demonstrate that omecamtiv mecarbil has low pro‐arrhythmic risk
por: Qu, Yusheng, et al.
Publicado: (2021)

Structural plasticity of histones H3-H4 facilitates their allosteric exchange between RbAp48 and ASF1
por: Zhang, Wei, et al.
Publicado: (2012)

Allosteric regulation of Senecavirus A 3C(pro) proteolytic activity by an endogenous phospholipid
por: Zhao, Hai-Fan, et al.
Publicado: (2023)

OXA-48 Carbapenemase-Producing Enterobacterales in Spanish Hospitals: An Updated Comprehensive Review on a Rising Antimicrobial Resistance
por: Rivera-Izquierdo, Mario, et al.
Publicado: (2021)

Metal-Ion Effects on the Polarization of Metal-Bound Water and Infrared Vibrational Modes of the Coordinated Metal Center of Mycobacterium tuberculosis Pyrazinamidase via Quantum Mechanical Calculations
por: Salazar-Salinas, Karim, et al.
Publicado: (2014)

In Vitro Evaluation of Pro- and Antioxidant Effects of Flavonoid Tricetin in Comparison to Myricetin
por: Chobot, Vladimir, et al.
Publicado: (2020)

Natural Polyhydroxy Flavonoids, Curcuminoids, and Synthetic Curcumin Analogs as α7 nAChRs Positive Allosteric Modulators
por: Ximenis, Marta, et al.
Publicado: (2021)

Genetic Diversity of Mycobacterium tuberculosis in Peru and Exploration of Phylogenetic Associations with Drug Resistance
por: Sheen, Patricia, et al.
Publicado: (2013)

A comprehensive ensemble model for comparing the allosteric effect of ordered and disordered proteins
por: Zhang, Luhao, et al.
Publicado: (2018)

Requiem, op. 48 Pavane, op. 50 /
por: Fauré, Gabriel, 1845-1924
Publicado: (1992)

Integrated Allosteric Model of Voltage Gating of Hcn Channels
por: Altomare, Claudia, et al.
Publicado: (2001)

Comprehensive transcriptome analysis and flavonoid profiling of Ginkgo leaves reveals flavonoid content alterations in day–night cycles
por: Ni, Jun, et al.
Publicado: (2018)

Protective Role of Flavonoids against Intestinal Pro-Inflammatory Effects of Silver Nanoparticles
por: Rufino, Ana T., et al.
Publicado: (2021)

Hypothetical granulin-like molecule from Fasciola hepatica identified by bioinformatics analysis
por: Machicado, Claudia, et al.
Publicado: (2016)

Development of Low-Cost Inverted Microscope to Detect Early Growth of Mycobacterium tuberculosis in MODS Culture
por: Zimic, Mirko, et al.
Publicado: (2010)

Identification and Biological Evaluation of CK2 Allosteric Fragments through Structure-Based Virtual Screening
por: Li, Chunqiong, et al.
Publicado: (2020)

Primaquine–quinoxaline 1,4-di-N-oxide hybrids with action on the exo-erythrocytic forms of Plasmodium induce their effect by the production of reactive oxygen species
por: Bonilla-Ramírez, Leonardo, et al.
Publicado: (2019)

Cannot write session to /tmp/vufind_sessions/sess_qj64l83jan71mhs101ilaukte1