Spectroscopic investigation, vibrational assignments, HOMO-LUMO, NBO, MEP analysis and molecular docking studies of oxoaporphine alkaloid liriodenine

Renyer A. Costa, Priscilla Olliveira Pitt, Maria Lúcia B. Pinheiro, +4

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy

Vibrational AssignmentsSpectroscopic InvestigationCombinatorial ChemistryBiochemistryNatural Sciences +7

Theoretical Investigation of the Structural, Spectroscopic, Electronic, and Pharmacological Properties of 4-Nerolidylcathecol, an Important Bioactive Molecule

Renyer A. Costa, Earle Silva A., Jaqueline de Araújo Bezerra, +7

Journal of Chemistry

Combinatorial ChemistryBioorganic ChemistryImportant Bioactive MoleculeOrganic ChemistryChemistry +16

New insights into structural, electronic, reactivity, spectroscopic and pharmacological properties of Bergenin: Experimental, DFT calculations, MD and docking simulations

Renyer A. Costa, Jonathas N. da Silva, Viviane Guedes de Oliveira, +4

Journal of Molecular Liquids

Combinatorial ChemistryMedicinal ChemistryBiochemistryNatural SciencesMedicine +9

Vibrational, structural and electronic properties investigation by DFT calculations and molecular docking studies with DNA topoisomerase II of strychnobrasiline type alkaloids: A theoretical approach for potentially bioactive molecules

Renyer A. Costa, Kélson Mota Teixeira de Oliveira, Emmanoel Vilaça Costa, +1

Journal of Molecular Structure

Combinatorial ChemistryMolecular Docking StudiesMedicinal ChemistryEngineeringBiochemistry +7

Quantum chemical properties investigation and molecular docking analysis with DNA topoisomerase II of β-carboline indole alkaloids from Simaba guianensis: a combined experimental and theoretical DFT study

Renyer A. Costa, Kélson Mota Teixeira de Oliveira, Rita de Cássia Saraiva Nunomura, +4

Structural Chemistry

Pharmaceutical ChemistryBiochemistryMedicineSimaba GuianensisOrganic Chemistry +5

Structural, vibrational, UV–vis, quantum-chemical properties, molecular docking and anti-cancer activity study of annomontine and N-hydroxyannomontine β-carboline alkaloids: A combined experimental and DFT approach

Renyer A. Costa, Earle Silva A., Guilherme Braule P. Lopes, +4

Journal of Molecular Structure

Medicinal ChemistryQuantum-chemical PropertiesBiochemistryMedicineNatural Sciences +8

Experimental and theoretical study on spectral features, reactivity, solvation, topoisomerase I inhibition and in vitro cytotoxicity in human HepG2 cells of guadiscine and guadiscidine aporphine alkaloids

Renyer A. Costa, Gabriel de A. Barros, Jonathas N. da Silva, +4

Journal of Molecular Structure

Medicinal ChemistryPharmacological StudyBiochemistryMedicineNatural Sciences +6

Structural, Vibrational, and Electronic Properties of the Glucoalkaloid Strictosidine: A Combined Experimental and Theoretical Study

Renyer A. Costa, Maria Lúcia B. Pinheiro, Kélson Mota Teixeira de Oliveira, +6

Journal of Chemistry

Medicinal ChemistryEnantioselective SynthesisEngineeringBiochemistryDimeric Form +12

Theoretical and experimental study by DFT, molecular docking calculations and cytotoxicity assay of 7,7-dimethylaporphine alkaloids type isolated from Guatteria friesiana (Annonaceae)

Adjane Dalvana Sampaio Branches, Renyer A. Costa, Earle Silva A., +4

Journal of Molecular Structure

BiochemistryMedicineHerb-drug Interaction7,7-Dimethylaporphine Alkaloids TypePhytochemistry +4

DFT Investigations on the Interactions Between Pyrimidine Derivatives and Ag/Au/Cu Metal Clusters: Solvation Effects and Reactivity Analysis

Jamelah S. Al‐Otaibi, Y. Sheena Mary, Y. Shyma Mary, +2

Journal of Cluster Science