Carolina Passarelli Gonçalves

Carolina Passarelli Gonçalves


Research Focus & Metrics

Academic Career Length

2Years (2025-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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16 June 2025 in Pharmaceuticals
Verified
Journal Article
Open access
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GSGarcia Ferreira de Souza
Garcia Ferreira de Souza
ASAiris Farias Santana
Airis Farias Santana
FAFernanda Sanches Kuhl Antunes
Fernanda Sanches Kuhl Antunes
RCRamon Martins Cogo
Ramon Martins Cogo
MPMatheus Dornellas Pereira
Matheus Dornellas Pereira
CGCarolina Passarelli Gonçalves
Carolina Passarelli Gonçalves
Background/Objectives: Melanoma is one of the most aggressive forms of skin cancer and is frequently associated with the B-Raf600E mutation, which constitutively activates the MAPK signaling pathway. Although selective inhibitors such as Vemurafenib offer clinical benefits, their long-term efficacy is often hindered by resistance mechanisms and adverse effects. In this study, twelve phytochemicals from Brazilian green propolis were evaluated for their potential as selective B-Raf600E inhibitors using a computational approach. Methods: Physicochemical, ADME, and electronic properties were assessed, followed by molecular docking using the B-Raf600E crystal structure (PDB ID: 3OG7). Redocking validation and 500 ns molecular dynamics simulations were performed to investigate the stability of the ligand-protein complexes, and free energy calculations were then computed. Results: Among the tested compounds, Artepillin C exhibited the strongest binding affinity (−8.17 kcal/mol) in docking and maintained stable interactions with key catalytic residues throughout the simulation, also presenting free energy of binding ΔG of −20.77 kcal/mol. HOMO-LUMO and electrostatic potential analyses further supported its reactivity and selectivity. Notably, Artepillin C remained bound within the ATP-binding site, mimicking several critical interactions observed with Vemurafenib. Results: Among the tested compounds, Artepillin C exhibited the strongest binding affinity (−8.17 kcal/mol) and maintained stable interactions with key catalytic residues throughout the simulation. HOMO-LUMO and electrostatic potential analyses further supported its reactivity and selectivity. Notably, Artepillin C remained bound within the ATP-binding site, mimicking several critical interactions observed with Vemurafenib. Conclusions: These findings indicate that Artepillin C is a promising natural compound for further development as a selective B-Raf600E inhibitor and suggest its potential utility in melanoma treatment strategies. This study reinforces the value of natural products as scaffolds for targeted drug design and supports continued experimental validation.

7 September 2026 in Molecules
Verified
Journal Article
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MRMaria Cristina Marcucci Ribeiro
Maria Cristina Marcucci Ribeiro
TBThais Bonagura
Thais Bonagura
TBThamires Bonagura
Thamires Bonagura
GCGeovani Moreira Cruz
Geovani Moreira Cruz
CGCarolina Passarelli Gonçalves
Carolina Passarelli Gonçalves
Kai WangKai Wang
Kai Wang
Samples of stingless honey from six species of stingless bees collected at nine stations in different Brazilian states were analyzed by chemometric methods for moisture, impurities and solid residues, ash, pH, electrical conductivity, proteins, proline, identification of adulteration, presence of substances such as phytochemical analysis, color and levels of HMF. The color (C) varied between water white and dark amber. Proteins (mL) varied from 0.00 (S5) to 2.00 (S4). Lund test from 0.00% (S5) to 3.10% (S6), total phenols (TP%) from 0.04 to 13.45 mg/100 g GAE, total flavonoids from (TF%) 0.03 to 0.11 mg/100 g QE, and HMF from 0.00 to 14.28 mg/kg. There was an increased amount of PRO in S7 and S8. S1, S4, S7 and S8 had the best antioxidant activity (EC50). A heat map showed that S2 was the sample with the highest %Brix, %insoluble solids, %humidity and pH, but the lowest TP%. S7 had the highest C, proline (PRO), TF%, EC50 and EC. S4 had high %A and intermediate results between groups 9, 5, 6 and groups 1, 3, 8. The sample honey S6 showed a high content of TP (13.45 ± 0.98 mg/100 g of GAE). In contrast, stingless honey samples exhibited better DPPH scavenging activity (EC50: 21.45 ± 0.54 to 53.71 ± 0.24 mg/mL). The chemometric classification of stingless bee honey revealed that the physicochemical properties contributed significantly to the classification of stingless bee honey from different bee species. With all the information presented here, the results obtained and correlations from multivariate statistical analysis, we propose the creation of a standard for the technical regulation of Brazilian native bee honey, based on the literature and quality parameters described here.