Caio Henrique Alexandre Roberto

Universidade Estadual do Ceará · CE · 19 publicações em 2022–2026

Computational Drug Discovery MethodsSynthesis and Characterization of Heterocyclic CompoundsHeterocyclic Compound Synthesis and BioactivityResearch on Leishmaniasis StudiesCholinesterase and Neurodegenerative Diseases

Principais coautores no Nordeste tamanho = publicações em comum

Emmanuel Silva Marinho Márcia Machado Marinho Matheus Nunes da Rocha Victor Moreira de Oliveira Hélcio Silva dos Santos Damião Sampaio de Sousa Francisco Rogênio da Silva Mendes Pedro de Lima‐Neto Alexandre Magno Rodrigues Teixeira Francisco Nithael Melo Lúcio Alice Maria Costa Martins João Victor Serra Nunes

Publicações recentes

2026 2

Ligand and structure-based toxicological assessment of (thio)semicarbazones on cholinesterases
Medicina · Journal of Computer-Aided Molecular Design
Coumarin‐Benzimidazole Hybrids as Multitarget Scaffolds for Antileishmanial Drug Discovery
Farmacologia e toxicologia · ChemistrySelect

2025 6

Investigation of the anti-leishmanial potential of triazole-linked carvacrol–coumarin derivatives: a docking, molecular dynamics, MM/GBSA toxicity approach
Farmacologia e toxicologia · Journal of the Iranian Chemical Society
Phenol and chromone compounds for in silico inhibition of nsP2 and nsP3 of Chikungunya virus
Farmacologia e toxicologia · Pharmaceutical Science Advances
Coumarin benzamide scaffold as potential 5-HT2C inhibitors: a multiparametric investigation and molecular simulation
Farmacologia e toxicologia · Journal of Molecular Modeling
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
Antileishmanial activity of hesperetin on Leishmania donovani, in vitro and in silico inhibition of acetylcholinesterase and investigation of the targets sterol C-24 reductase and N-myristoyltransferase
Medicina · Experimental Parasitology
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 8

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
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
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
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
ESTUDO PREDITIVO DO POTENCIAL ANTI-MICOBACTERIANO E TOXICOLÓGICO DE FOETITIOFENOS
Farmacologia e toxicologia · Revista Multidisciplinar do Nordeste Mineiro
IMPACTOS DOS ADOÇANTES SINTÉTICOS NA SAÚDE HUMANA E NO MEIO AMBIENTE: UMA REVISÃO SISTEMÁTICA
Enfermagem · Revista Multidisciplinar do Nordeste Mineiro

2023 1

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

2022 2

Bixinoids Derived from Bixa orellana as a Potential Zika Virus Inhibitor Using Molecular Simulations. Antiviral Effect on the Zika Virus of Bixinoids
Farmacologia e toxicologia · Brazilian Archives of Biology and Technology
Incidence of penile neoplasia associated with the use of pesticides in the Irrigated Perimeter Jaguaribe Apodi - Ceará, Brazil: An in silico approach
Farmacologia e toxicologia · Research Society and Development

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