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Peer-reviewedCC BYIn Silico Pharmacology

In silico characterization of Desmodium gangeticum compounds as dual modulators of MAO-B and 5-HT2A in Parkinson’s disease: an integrated approach combining molecular docking, ADMET profiling, MM-GBSA, QSAR modeling, and molecular dynamics simulation

  • Oluwabusayo Esther Akinma1,2
  • Olufemi Adebisi Akinola1,3
  • Ifeoluwa Deborah Ojo1
  • Akinyode Isaac Olopoda1,3
  • Ifedayo David Akerele1
  • Bright Bayonle Akinyemi1
  • Folashade O. Ayodeji1
  • Olusola Olalekan Elekofehinti1,3
  1. 1Teady Bioscience Research Laboratory, Ilara-Mokin, Ondo State Nigeria
  2. 2Olusegun Agagu University of Science and Technology, Okitipupa, Ondo State Nigeria
  3. 3Department of Biochemistry, Federal University of Technology, Akure, Nigeria
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Cite

BibTeXRIS
BibTeX
@article{akinma2026silico,
  title = {{In silico characterization of Desmodium gangeticum compounds as dual modulators of MAO-B and 5-HT2A in Parkinson’s disease: an integrated approach combining molecular docking, ADMET profiling, MM-GBSA, QSAR modeling, and molecular dynamics simulation}},
  author = {Oluwabusayo Esther Akinma and Olufemi Adebisi Akinola and Ifeoluwa Deborah Ojo and Akinyode Isaac Olopoda and Ifedayo David Akerele and Bright Bayonle Akinyemi and Folashade O. Ayodeji and Olusola Olalekan Elekofehinti},
  journal = {In Silico Pharmacology},
  year = {2026},
  month = oct,
  doi = {10.1007/s40203-026-00773-7},
  url = {https://doi.org/10.1007/s40203-026-00773-7},
  note = {CC BY},
}
RIS
TY  - JOUR
TI  - In silico characterization of Desmodium gangeticum compounds as dual modulators of MAO-B and 5-HT2A in Parkinson’s disease: an integrated approach combining molecular docking, ADMET profiling, MM-GBSA, QSAR modeling, and molecular dynamics simulation
AU  - Oluwabusayo Esther Akinma
AU  - Olufemi Adebisi Akinola
AU  - Ifeoluwa Deborah Ojo
AU  - Akinyode Isaac Olopoda
AU  - Ifedayo David Akerele
AU  - Bright Bayonle Akinyemi
AU  - Folashade O. Ayodeji
AU  - Olusola Olalekan Elekofehinti
PY  - 2026
DA  - 2026/10/25
JO  - In Silico Pharmacology
DO  - 10.1007/s40203-026-00773-7
UR  - https://doi.org/10.1007/s40203-026-00773-7
SN  - 2193-9616
ER  -