Matheus Nunes da Rocha

Universidade Estadual do Ceará · CE · 58 publicações em 2022–2026

Computational Drug Discovery MethodsHeterocyclic Compound Synthesis and BioactivitySynthesis and Characterization of Heterocyclic CompoundsAntibiotic Resistance in BacteriaAntimicrobial Resistance in Staphylococcus

Principais coautores no Nordeste tamanho = publicações em comum

Emmanuel Silva Marinho Márcia Machado Marinho Hélcio Silva dos Santos Alexandre Magno Rodrigues Teixeira Caio Henrique Alexandre Roberto Henrique Douglas Melo Coutinho Jane Eire Silva Alencar de Menezes Victor Moreira de Oliveira Selene Maia de Morais Aluísio Marques da Fonseca Emanuelle Machado Marinho Pedro de Lima‐Neto

Publicações recentes

2026 12

In silico analysis of Anacardium occidentale phytochemicals: pharmacokinetics, molecular docking, and dynamics of Cryptococcus neoformans enzymes
Farmacologia e toxicologia · In Silico Pharmacology
Targeting of Leishmania proteins by β-Lapachone derivatives reveals a promising multitarget candidate
Farmacologia e toxicologia · Archives of Microbiology
Bioactive flavonoids from Anacardium occidentale as promising natural inhibitors of Cryptococcus neoformans: a computational perspective on secondary metabolites against critical fungal pathogens
Farmacologia e toxicologia · Archives of Microbiology
Natural chlocarbazomycins as potential adenosine A1 receptor antagonists: ligand-based and structure-based virtual screening, quantum chemical analysis and CNS MPO study
Farmacologia e toxicologia · Molecular Diversity
Anxiolytic and Memory Protective Effects of Withanolide D Isolated From Acnistus arborescens in Adult Zebrafish
Medicina · Chemistry & Biodiversity
Evidence for the Induction of Anxiolytic‐Like Behavior and Memory Preservation by (+)‐Dihydrocarvone Through Studies in Adult Zebrafish and In Sílico
Bioquímica, genética e biologia molecular · Chemistry & Biodiversity
Evaluation of Chalcone ( E )-3-(4-Fluorophenyl)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)-prop-2-en-1-one against Trypanosoma cruzi (Y Strain): In Vitro Assay, In Silico Drug-Target Analysis, and MPO-Based Drug Likeness
Medicina · ACS Omega
Anticandidal, molecular docking, antioxidant, and cytotoxic effects of the essential oil of Vitex gardneriana Schauer
Ciências agrárias e biológicas · Anais da Academia Brasileira de Ciências
Molecular insights and ADMET profiling of iridoids as candidate leads for erectile dysfunction therapy
Farmacologia e toxicologia · Journal of Molecular Modeling
Synthesis, Structural Characterization, and Evaluation of the Antibacterial Activity of Chalcones Against Staphylococcus aureus Strains Overexpressing the NorA and MepA Efflux Pumps: An In Vitro, In Silico, and Molecular Approach
Medicina · ChemistrySelect
Europium Metal Complex [Eu(dbm) 3 .LAP] Promotes Antinociceptive Behavior via TRPA1 Neuromodulation and an Anti‐Inflammatory Effect in Adult Zebrafish
Neurociência · Chemistry & Biodiversity
UPLC-ESI-QToF-MS/MS profiling and anxiolytic-like effects of Simira paraensis (Baill.) Steyerm bark
Medicina · Journal of Pharmaceutical and Biomedical Analysis

2025 15

Naringenin as potentiator of norfloxacin efficacy through inhibition of the NorA efflux pump in Staphylococcus aureus
Medicina · Microbial Pathogenesis
Evaluation of the antibacterial and inhibitory activity of the NorA and TetK efflux pumps of Staphylococcus aureus by p-coumaric acid
Medicina · Microbial Pathogenesis
Chemical Composition and Larvicidal Activity Against Aedes aegypti of the Leaf Essential Oils from Croton blanchetianus
Ciências agrárias e biológicas · Molecules
Neuropharmacological evaluation of hydralazine hydrazone derivatives: Synthesis, In silico, and zebrafish studies
Bioquímica, genética e biologia molecular · Biochemical and Biophysical Research Communications
Phenol and chromone compounds for in silico inhibition of nsP2 and nsP3 of Chikungunya virus
Farmacologia e toxicologia · Pharmaceutical Science Advances
Synthesis, Characterization, and Evaluation of the Anxiolytic Activity of Hydrazones Derived from the Drug Isoniazid, Using the Adult Zebrafish (Danio rerio) Model
Bioquímica, genética e biologia molecular · ACS Omega
Anthelmintic activity on Haemonchus contortus and toxicity of benzoyl-carvacrol: a study in vitro, in silico and in vivo
Imunologia e microbiologia · Revista Brasileira de Parasitologia Veterinária/Brazilian Journal of Veterinary Parasitology
Allosteric modulation of laeviganoid-based clerodane diterpenes derivatives in muscarinic acetylcholine M1 receptor against tinnitus: a structure-based virtual screening approach
Farmacologia e toxicologia · Future Journal of Pharmaceutical Sciences
Coumarin benzamide scaffold as potential 5-HT2C inhibitors: a multiparametric investigation and molecular simulation
Farmacologia e toxicologia · Journal of Molecular Modeling
Evaluation of the antibacterial and inhibitory activity of the NorA efflux pump in Staphylococcus aureus by citronellol
Medicina · Biologia
Unraveling the Antihyperglycemic Effects of Dipeptyl Peptidase-4 Inhibitors in Rodents: A Multi-Faceted Approach Combining Effects on Glucose Homeostasis, Molecular Docking, and ADMET Profiling
Medicina · Pharmaceuticals
Green synthesis of Perillyl alcohol esters using hybrid cashew lignin-magnetite and evaluation of anxiolytic and anticonvulsant potential in zebrafish with quantum mechanics calculations, docking, and ADMET studies
Bioquímica, genética e biologia molecular · Journal of Molecular Structure
Effect of lauric acid on efflux pump inhibition in Staphylococcus aureus K2068: Regulation of the mepA gene and membrane permeability alterations
Medicina · Microbial Pathogenesis
Antinociceptive and Anti‐inflammatory Effect of Nicandrin B Isolated From Datura ferox in Zebrafish
Medicina · Chemistry & Biodiversity
Anxiolytic effects of crystal and polycrystal of hydrazone derived from hydralazine in adult zebrafish
Bioquímica, genética e biologia molecular · Biochemical and Biophysical Research Communications

2024 12

Ligand and structure-based virtual screening approaches in drug discovery: minireview
Farmacologia e toxicologia · Molecular Diversity
Insights of potential trypanocidal effect of the synthetic derivative (2E)-1-(4-aminophenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one: in vitro assay, MEV analysis, quantum study, molecular docking, molecular dynamics, MPO analysis, and predictive ADMET
Medicina · Naunyn-Schmiedeberg s Archives of Pharmacology
Structure-based virtual screening of mangiferin derivatives with antidiabetic action: a molecular docking and dynamics study and MPO-based drug-likeness approach
Medicina · 3 Biotech
Ligand-based analysis of the antifungal potential of phytosterols and triterpenes isolated from Cryptostegia grandiflora against Candida auris FKBP12
Farmacologia e toxicologia · Steroids
Antibacterial and Inhibitory Activity of Nora and Mepa Efflux Pumps of Estragole Complexed to β-Cyclodextrin (ES/β-CD) In Vitro Against Staphylococcus aureus Bacteria, Molecular Docking and MPO-Based Pharmacokinetics Prediction
Medicina · Pharmaceutics
Synthesis, vibrational analysis, thermal analysis, quantum-chemical calculation, molecular docking and dynamics, DMPK and evaluation of the antichagasic potential of a fluorinated chalcone
Medicina · Journal of Molecular Structure
Structure and Ligand Based Virtual Screening and MPO Topological Analysis of Triazolo Thiadiazepine-fused Coumarin Derivatives as Anti-Parkinson Drug Candidates
Farmacologia e toxicologia · Molecular Biotechnology
Evaluation of Emulsification Techniques to Optimize the Properties of Chalcone Nanoemulsions for Antifungal Applications
Ciências agrárias e biológicas · Pharmaceuticals
Polyphenols of four medicinal plants extracts and relation with antifungal activities through in vitro and in silico studies
Ciências agrárias e biológicas · Ciência e Natura
Antitrypanosomal Potential of Chalcone‐Based Ursolic Acid Derivatives via Ligand‐Based Virtual Screening, DMPK Analyses, Molecular Dynamics Simulation, and MM/GBSA Binding Energy
Farmacologia e toxicologia · ChemistrySelect
Robinin Isolated From Solanum Asperum Exhibits Pharmacological Actions in the Central Nervous System of Adult Zebrafish ( Danio rerio )
Medicina · Chemistry & Biodiversity
Structural Characterization, Dft Calculations, Admet Studies, Antibiotic Potentiating Activity, Evaluation of Efflux Pump Inhibition of Hydrazone Derivative of the Drug Hydralazine
Medicina · SSRN Electronic Journal

2023 10

In Silico Study in MPO and Molecular Docking of the Synthetic Drynaran Analogues Against the Chronic Tinnitus: Modulation of the M1 Muscarinic Acetylcholine Receptor
Farmacologia e toxicologia · Molecular Biotechnology
Insights of structure-based virtual screening and MPO-based SAR analysis of berberine-benzimidazole derivatives against Parkinson disease
Farmacologia e toxicologia · Journal of Molecular Structure
GABA A and serotonergic receptors participation in anxiolytic effect of chalcones in adult zebrafish
Neurociência · Journal of Biomolecular Structure and Dynamics
Chalcones As Potent Agents Against Staphylococcus aureus: A Computational Approach
Farmacologia e toxicologia · Letters in Drug Design & Discovery
Evaluation of the antibacterial and inhibitory activity of the MepA efflux pump of Staphylococcus aureus by riparins I, II, III, and IV
Medicina · Archives of Biochemistry and Biophysics
Structure-based virtual screening of new antitumor natural berberines: Bioactivity against pancreas cancer by HIF1 inhibition effect
Farmacologia e toxicologia · Journal of Molecular Structure
De novo design of bioactive phenol and chromone derivatives for inhibitors of Spike glycoprotein of SARS-CoV-2 in silico
Farmacologia e toxicologia · 3 Biotech
Synthesis, structural, characterization, antibacterial and antibiotic modifying activity, ADMET study, molecular docking and dynamics of chalcone ( E )-1-(4-aminophenyl)-3-(4-nitrophenyl)prop-2-en-1-one in strains of Staphylococcus aureus carrying NorA and MepA efflux pumps
Medicina · Journal of Biomolecular Structure and Dynamics
Naphthoquinones biflorin and bis-biflorin ( Capraria biflora ) as possible inhibitors of the fungus Candida auris polymerase: molecular docking, molecular dynamics, MM/GBSA calculations and in silico drug-likeness study
Farmacologia e toxicologia · Journal of Biomolecular Structure and Dynamics
Isolation, characterization and in silico study of propenamide alkaloids from Hymenoepmecis bicolor poison against active μ -opioid receptor
Farmacologia e toxicologia · Journal of Biomolecular Structure and Dynamics

2022 1

Predictive ADMET study of rhodanine-3-acetic acid chalcone derivatives
Farmacologia e toxicologia · Journal of the Indian Chemical Society

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