Cargando…

Identification of Novel Chemical Entities for Adenosine Receptor Type 2A Using Molecular Modeling Approaches

Adenosine Receptor Type 2A (A(2A)AR) plays a role in important processes, such as anti-inflammatory ones. In this way, the present work aimed to search for compounds by pharmacophore-based virtual screening. The pharmacokinetic/toxicological profiles of the compounds, as well as a robust QSAR, predi...

Descripción completa

Detalles Bibliográficos
Autores principales:	dos Santos, Kelton L. B., Cruz, Jorddy N., Silva, Luciane B., Ramos, Ryan S., Neto, Moysés F. A., Lobato, Cleison C., Ota, Sirlene S. B., Leite, Franco H. A., Borges, Rosivaldo S., da Silva, Carlos H. T. P., Campos, Joaquín M., Santos, Cleydson B. R.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7179438/ https://www.ncbi.nlm.nih.gov/pubmed/32164183 http://dx.doi.org/10.3390/molecules25051245

Ejemplares similares

In Silico Evaluation of Ibuprofen and Two Benzoylpropionic Acid Derivatives with Potential Anti-Inflammatory Activity
por: Bittencourt, José A. H. M., et al.
Publicado: (2019)

Analgesic Activity of 5-Acetamido-2-Hydroxy Benzoic Acid Derivatives and an In-Vivo and In-Silico Analysis of Their Target Interactions
por: Santos, Cleydson B. R., et al.
Publicado: (2023)

Toward of Safer Phenylbutazone Derivatives by Exploration of Toxicity Mechanism
por: Borges, Rosivaldo S., et al.
Publicado: (2019)

Identification of Novel Protein Kinase Receptor Type 2 Inhibitors Using Pharmacophore and Structure-Based Virtual Screening
por: Cruz, Josiane V., et al.
Publicado: (2018)

Hierarchical Virtual Screening Based on Rocaglamide Derivatives to Discover New Potential Anti-Skin Cancer Agents
por: dos Santos, Igor V.F., et al.
Publicado: (2022)

In Silico Study to Identify New Antituberculosis Molecules from Natural Sources by Hierarchical Virtual Screening and Molecular Dynamics Simulations
por: Pinto, Vinícius de S., et al.
Publicado: (2019)

Revisiting the Proposition of Binding Pockets and Bioactive Poses for GSK-3β Allosteric Modulators Addressed to Neurodegenerative Diseases
por: Silva, Guilherme M., et al.
Publicado: (2021)

Identification of New Rofecoxib-Based Cyclooxygenase-2 Inhibitors: A Bioinformatics Approach
por: Leão, Rozires P., et al.
Publicado: (2020)

Natural Products-Based Drug Design against SARS-CoV-2 Mpro 3CLpro
por: Silva, Rai C., et al.
Publicado: (2021)

Design and Identification of Inhibitors for the Spike-ACE2 Target of SARS-CoV-2
por: Bastos, Ruan S., et al.
Publicado: (2023)

Hierarchical Virtual Screening of Potential New Antibiotics from Polyoxygenated Dibenzofurans against Staphylococcus aureus Strains
por: Oliveira, Lana P. S., et al.
Publicado: (2023)

Identification of Potential Antiviral Inhibitors from Hydroxychloroquine and 1,2,4,5-Tetraoxanes Analogues and Investigation of the Mechanism of Action in SARS-CoV-2
por: Ramos, Ryan S., et al.
Publicado: (2022)

Alkylated Sesamol Derivatives as Potent Antioxidants
por: C. Palheta, Ivanete, et al.
Publicado: (2020)

Galantamine Based Novel Acetylcholinesterase Enzyme Inhibitors: A Molecular Modeling Design Approach
por: Silva, Luciane B., et al.
Publicado: (2023)

Identification of Potential Insect Growth Inhibitor against Aedes aegypti: A Bioinformatics Approach
por: Da Costa, Glauber V., et al.
Publicado: (2022)

Hierarchical Virtual Screening and Binding Free Energy Prediction of Potential Modulators of Aedes Aegypti Odorant-Binding Protein 1
por: Neto, Moysés F. A., et al.
Publicado: (2022)

Identification of a Novel Dual Inhibitor of Acetylcholinesterase and Butyrylcholinesterase: In Vitro and In Silico Studies
por: de Almeida, Raquel B. M., et al.
Publicado: (2023)

Interactions between carbon nanotubes and external structures of SARS-CoV-2 using molecular docking and molecular dynamics
por: Lobato, Júlio Cesar Mendes, et al.
Publicado: (2023)

An In Silico Study of the Antioxidant Ability for Two Caffeine Analogs Using Molecular Docking and Quantum Chemical Methods
por: Costa, Josivan da Silva, et al.
Publicado: (2018)

A QSAR, Pharmacokinetic and Toxicological Study of New Artemisinin Compounds with Anticancer Activity
por: Vieira, Josinete B., et al.
Publicado: (2014)

Identification of Potential COX-2 Inhibitors for the Treatment of Inflammatory Diseases Using Molecular Modeling Approaches
por: Araújo, Pedro H. F., et al.
Publicado: (2020)

An Antioxidant Potential, Quantum-Chemical and Molecular Docking Study of the Major Chemical Constituents Present in the Leaves of Curatella americana Linn
por: Teles Fujishima, Mayara Amoras, et al.
Publicado: (2018)

Experimental and theoretical study on structure-tautomerism among edaravone, isoxazolone, and their heterocycles derivatives as antioxidants
por: Queiroz, Auriekson N., et al.
Publicado: (2020)

Hierarchical Virtual Screening of Potential Insectides Inhibitors of Acetylcholinesterase and Juvenile Hormone from Temephos
por: V. da Costa, Glauber, et al.
Publicado: (2019)

A SAR and QSAR Study of New Artemisinin Compounds with Antimalarial Activity
por: Santos, Cleydson Breno R., et al.
Publicado: (2013)

Identification of New Inhibitors with Potential Antitumor Activity from Polypeptide Structures via Hierarchical Virtual Screening
por: Ferreira, Elenilze F. B., et al.
Publicado: (2019)

Refeeding syndrome: a challenging entity
por: dos Santos, V.M., et al.
Publicado: (2022)

Identification of Potential Inhibitors from Pyriproxyfen with Insecticidal Activity by Virtual Screening
por: da Silva Ramos, Ryan, et al.
Publicado: (2019)

Pharmacological Characteristics of the Hydroethanolic Extract of Acmella oleracea (L) R. K. Jansen Flowers: ADME/Tox In Silico and In Vivo Antihypertensive and Chronic Toxicity Evaluation
por: Rodrigues, Emanuelle T., et al.
Publicado: (2023)

Cardiovascular Effects of Trans-4-Methoxy-β-Nitrostyrene in Spontaneously Hypertensive Rats: Comparison With Its Parent Drug β-Nitrostyrene
por: Alves-Santos, Thayane Rebeca, et al.
Publicado: (2019)

Antimicrobial resistance profile of extended-spectrum beta-lactamases, adenosine-monophosphate-cyclic, and carbapenemase-producing Gram-negative bacteria isolated from domestic animals
por: dos Santos, Jôiciglecia Pereira, et al.
Publicado: (2021)

Variation in the Chemical Composition of Endemic Specimens of Hedychium coronarium J. Koenig from the Amazon and In Silico Investigation of the ADME/Tox Properties of the Major Compounds
por: Cruz, Jorddy Neves, et al.
Publicado: (2023)

Perianal Paget Disease: Different Entities With the Same Name
por: Santos, Marisa D, et al.
Publicado: (2021)

Giant oral lipoma: a rare entity
por: Ponce, José Burgos, et al.
Publicado: (2016)

Density Functional Theory (DFT) Study of Edaravone Derivatives as Antioxidants
por: Borges, Rosivaldo S., et al.
Publicado: (2012)

Vulvar Lobular Capillary Hemangioma: A Rare Location for a Frequent Entity
por: Abreu-dos-Santos, F., et al.
Publicado: (2016)

Understanding the Molecular Aspects of Tetrahydrocannabinol and Cannabidiol as Antioxidants
por: Borges, Rosivaldo S., et al.
Publicado: (2013)

Virtual Screening and Statistical Analysis in the Design of New Caffeine Analogues Molecules with Potential Epithelial Anticancer Activity
por: Costa, Josivan da Silva, et al.
Publicado: (2018)

New nanocarried phenobarbital formulation: Maintains better control of pentylenetetrazole-Induced seizures
por: de Almeida, Lorena Cristina Nunes, et al.
Publicado: (2020)

Relationship between lumbar changes and modifications in the plantar arch in women with low back pain
por: Borges, Cláudia dos Santos, et al.
Publicado: (2013)

Cannot write session to /tmp/vufind_sessions/sess_oorbiff6khlbfvh8i9mij6q11t