M. N. da Rocha

发表

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

H. S. dos Santos, E. S. Marinho, Gabrielle Silva Marinho, 2023, Journal of biomolecular structure & dynamics.

HIF1 inhibition of the biflavonoids against pancreas cancer: drug-likeness, bioavailability, ADMET, PASS, molecular docking, molecular dynamics, and MM/GBSA calculations

E. S. Marinho, L. L. Bezerra, S. D. de Morais, 2022, Journal of biomolecular structure & dynamics.

Structural, topological, vibrational, and electronic analysis, and ADMET study of Methyl-2-(4-isobutylphenyl)propanoate

P. Bandeira, H. S. dos Santos, Murilo S. S. Julião, 2024, Journal of Molecular Structure.

GABAA and serotonergic receptors participation in anxiolytic effect of chalcones in adult zebrafish

M. Ferreira, P. Bandeira, E. L. Rebouças, 2023, Journal of biomolecular structure & dynamics.

Antichagasic evaluation, molecular docking and ADMET properties of the chalcone (2E)-3-(2-fluorophenyl)-1-(2-hydroxy- 3,4,6-trimethoxyphenyl)prop-2-en-1-one against Trypanosoma cruzi

T. L. Sampaio, P. Bandeira, H. S. dos Santos, 2022, Journal of biomolecular structure & dynamics.

Studies of the Croton nepetaefolius Bail. essential oil and constituents as anticholinesterase agents against Alzheimer’s disease

M. Marinho, E. S. Marinho, L. L. Bezerra, 2022, Chemical Papers.

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.

H. S. dos Santos, M. Marinho, E. P. Magalhães, 2024, 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

M. Marinho, E. S. Marinho, S. D. de Morais, 2024, 3 Biotech.

De novo design of bioactive phenol and chromone derivatives for inhibitors of Spike glycoprotein of SARS-CoV-2 in silico

P. de Lima-Neto, H. S. dos Santos, R. M. Freire, 2023, 3 Biotech.

Heterocyclic chalcone (E)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)-3-(thiophen-2-yl) prop-2-en-1-one derived from a natural product with antinociceptive, anti-inflammatory, and hypoglycemic effect in adult zebrafish

M. Ferreira, M. Marinho, E. S. Marinho, 2023, 3 Biotech.

Hypoglycemic and hepatoprotective effects in adult zebrafish (Danio rerio) of fisetinidol isolated from Bauhinia pentandra: In vivo and in silico assays

M. Ferreira, E. L. Rebouças, M. Marinho, 2022, Journal of biomolecular structure & dynamics.

Diterpene Sonderianin isolated from Croton blanchetianus exhibits acetylcholinesterase inhibitory action and anxiolytic effect in adult zebrafish (Danio rerio) by 5-HT system

M. Ferreira, P. Bandeira, F. Magalhães, 2021, Journal of biomolecular structure & dynamics.

Synthesis, Vibrational Analysis, Thermal analysis, Quantum-chemical Calculation, Molecular Docking and Dynamics, DMPK and Evaluation of the Antichagasic Potential of a Fluorinated Chalcone

H. S. dos Santos, E. M. Marinho, E. P. Magalhães, 2024, 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.

P. de Lima-Neto, Jesyka Macêdo Guedes, Victor Moreira de Oliveira, 2024, Molecular biotechnology.

Insights of Structure-based Virtual Screening and MPO-based SAR Analysis of Berberine-Benzimidazole Derivatives Against Parkinson Disease

M. Marinho, E. S. Marinho, S. D. de Morais, 2023, Journal of Molecular Structure.

In Silico Study in MPO and Molecular Docking of the Synthetic Drynaran Analogues Against the Chronic Tinnitus: Modulation of the M1 Muscarinic Acetylcholine Receptor

H. S. dos Santos, E. S. Marinho, Gabrielle Silva Marinho, 2023, Molecular biotechnology.