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Peer-reviewedCC BY 4.0Chemistry & Biodiversity

α‐Glucosidase and Acetylcholinesterase (AChE) Inhibitory Activities, Larvicidal Potential and GC–MS Analysis of Endlicheria paniculata: A Combined Experimental and Molecular Docking Study

  • Jenifer Priscila de Araujo1
  • Luiz Everson Da Silva2
  • Wanderlei do Amaral3
  • Michele Debiasi Alberton4
  • Ana Helena Loos Moritz4
  • Fernando Cesar Martins Betim1
  • Deise Prehs Montrucchio1
  • Marilis Dallarmi Miguel1
  • Josiane de Fátima Gaspari Dias1
  • Hélcio Silva Dos Santos5
  • Emmanuel Silva Marinho5
  • Márcia Machado Marinho5
2 more authors
  • Jacilene Silva5
  • Obdulio Gomes Miguel1
5 affiliations
  1. 1Department of Pharmacy Postgraduate Program in Pharmaceutical Sciences Federal University of Paraná Curitiba PR Brazil
  2. 2Postgraduate Program in Sustainable Territorial Development Federal University of Paraná Coastal sector Matinhos PR Brazil
  3. 3Department of Chemical Engineering Federal University of Paraná Curitiba PR Brazil
  4. 4Department of Pharmaceutical Sciences Regional University of Blumenau Blumenau SC Brazil
  5. 5Laboratory For Bioprospecting and Monitoring of Natural Resources ‐ LBMRN Ceará State University Fortaleza CE Brazil
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Abstract

Essential oils from Endlicheria paniculata tissues were characterized by GC–MS, revealing a high concentration of sesquiterpenes. Major constituents were amorpha‐4,9‐dien‐2‐ol (41.12%) in leaves, β‐muurola‐4,10(14)‐dien‐1‐ol (43.54%) in wood, and spathulenol (18.56%) in bark. In preliminary single‐concentration screening assays, the leaf oil demonstrated preliminary in vitro inhibitory potential against α‐glucosidase (98.44%) and acetylcholinesterase (AChE) (97.71%), alongside moderate larvicidal activity against Aedes aegypti (LC50=61.56μg·mL−1). Molecular docking simulations complemented these preliminary biological findings, showing that major leaf constituents, particularly amorpha‐4,9‐dien‐2‐ol and selina‐3,7(11)‐diene, exhibited favorable predicted binding interactions toward Ae. aegypti AChE‐1, driven primarily by hydrophobic interactions. Overall, these findings provide theoretical insights and support further investigation of E. paniculata volatiles as potential candidates for vector control research and detailed bio‐guided enzyme inhibition studies.

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Cite

BibTeXRIS
BibTeX
@article{araujo2026αglucosidase,
  title = {{α‐Glucosidase and Acetylcholinesterase (AChE) Inhibitory Activities, Larvicidal Potential and GC–MS Analysis of Endlicheria paniculata: A Combined Experimental and Molecular Docking Study}},
  author = {Jenifer Priscila de Araujo and Luiz Everson Da Silva and Wanderlei do Amaral and Michele Debiasi Alberton and Ana Helena Loos Moritz and Fernando Cesar Martins Betim and Deise Prehs Montrucchio and Marilis Dallarmi Miguel and Josiane de Fátima Gaspari Dias and Hélcio Silva Dos Santos and Emmanuel Silva Marinho and Márcia Machado Marinho and Jacilene Silva and Obdulio Gomes Miguel},
  journal = {Chemistry \& Biodiversity},
  year = {2026},
  month = oct,
  doi = {10.1002/cbdv.71881},
  url = {https://doi.org/10.1002/cbdv.71881},
  note = {CC BY 4.0},
}
RIS
TY  - JOUR
TI  - α‐Glucosidase and Acetylcholinesterase (AChE) Inhibitory Activities, Larvicidal Potential and GC–MS Analysis of Endlicheria paniculata: A Combined Experimental and Molecular Docking Study
AU  - Jenifer Priscila de Araujo
AU  - Luiz Everson Da Silva
AU  - Wanderlei do Amaral
AU  - Michele Debiasi Alberton
AU  - Ana Helena Loos Moritz
AU  - Fernando Cesar Martins Betim
AU  - Deise Prehs Montrucchio
AU  - Marilis Dallarmi Miguel
AU  - Josiane de Fátima Gaspari Dias
AU  - Hélcio Silva Dos Santos
AU  - Emmanuel Silva Marinho
AU  - Márcia Machado Marinho
AU  - Jacilene Silva
AU  - Obdulio Gomes Miguel
PY  - 2026
DA  - 2026/10/27
JO  - Chemistry & Biodiversity
DO  - 10.1002/cbdv.71881
UR  - https://doi.org/10.1002/cbdv.71881
AB  - Essential oils from Endlicheria paniculata tissues were characterized by GC–MS, revealing a high concentration of sesquiterpenes. Major constituents were amorpha‐4,9‐dien‐2‐ol (41.12%) in leaves, β‐muurola‐4,10(14)‐dien‐1‐ol (43.54%) in wood, and spathulenol (18.56%) in bark. In preliminary single‐concentration screening assays, the leaf oil demonstrated preliminary in vitro inhibitory potential against α‐glucosidase (98.44%) and acetylcholinesterase (AChE) (97.71%), alongside moderate larvicidal activity against Aedes aegypti (LC50=61.56μg·mL−1). Molecular docking simulations complemented these preliminary biological findings, showing that major leaf constituents, particularly amorpha‐4,9‐dien‐2‐ol and selina‐3,7(11)‐diene, exhibited favorable predicted binding interactions toward Ae. aegypti AChE‐1, driven primarily by hydrophobic interactions. Overall, these findings provide theoretical insights and support further investigation of E. paniculata volatiles as potential candidates for vector control research and detailed bio‐guided enzyme inhibition studies.
SN  - 1612-1872
SN  - 1612-1880
ER  -