Composition analysis, QSAR, molecular docking, molecular dynamics simulation and ADMET profiles of Citrus aurantium fruit essential oil compounds as inhibitors of NF-κB and MAPK in brain injury.

Ogunleye FA, Abhulimen PO, Oyedeji AO, Peter SE, Ibrahim MM, Adegboyega A, Fapohunda O, Okunowo WO, Ogundele OI, Eric CL, Usman SO, Yinzhong M

Open source

DOI
10.1016/j.compbiolchem.2026.109134
Published
2026 Oct
Container
Computational biology and chemistry
Publisher
Not recorded
Open access
unknown

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BibTeX

@article{allodium:10.1016/j.compbiolchem.2026.109134,
  title = {Composition analysis, QSAR, molecular docking, molecular dynamics simulation and ADMET profiles of Citrus aurantium fruit essential oil compounds as inhibitors of NF-κB and MAPK in brain injury.},
  author = {Ogunleye FA and Abhulimen PO and Oyedeji AO and Peter SE and Ibrahim MM and Adegboyega A and Fapohunda O and Okunowo WO and Ogundele OI and Eric CL and Usman SO and Yinzhong M},
  year = {2026},
  journal = {Computational biology and chemistry},
  doi = {10.1016/j.compbiolchem.2026.109134},
  url = {https://doi.org/10.1016/j.compbiolchem.2026.109134}
}

RIS

TY  - JOUR
TI  - Composition analysis, QSAR, molecular docking, molecular dynamics simulation and ADMET profiles of Citrus aurantium fruit essential oil compounds as inhibitors of NF-κB and MAPK in brain injury.
AU  - Ogunleye FA
AU  - Abhulimen PO
AU  - Oyedeji AO
AU  - Peter SE
AU  - Ibrahim MM
AU  - Adegboyega A
AU  - Fapohunda O
AU  - Okunowo WO
AU  - Ogundele OI
AU  - Eric CL
AU  - Usman SO
AU  - Yinzhong M
PY  - 2026
JO  - Computational biology and chemistry
DO  - 10.1016/j.compbiolchem.2026.109134
UR  - https://doi.org/10.1016/j.compbiolchem.2026.109134
ER  - 

APA

FA, O., PO, A., AO, O., SE, P., MM, I., A, A., O, F., WO, O., OI, O., CL, E., SO, U., & M, Y. (2026). Composition analysis, QSAR, molecular docking, molecular dynamics simulation and ADMET profiles of Citrus aurantium fruit essential oil compounds as inhibitors of NF-κB and MAPK in brain injury.. Computational biology and chemistry. https://doi.org/10.1016/j.compbiolchem.2026.109134

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