Integration of network pharmacology, structure-based pharmacophore modeling, DFT, molecular docking, and molecular dynamics simulations to identify multi-target small molecule inhibitors against Alzheimer's disease.

Onwu DO, Oria RS, Adekunle YA, Adams MD, Ani ON, Adele H, Tyohemba TS, Osioma E, Popoola BM, Bakare OS, Okon VE, Maxwell CC

Open source

DOI
10.1007/s00210-026-05824-6
Published
2026 Sep 19
Container
Naunyn-Schmiedeberg's archives of pharmacology
Publisher
Not recorded
Open access
no

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BibTeX

@article{allodium:10.1007/s00210-026-05824-6,
  title = {Integration of network pharmacology, structure-based pharmacophore modeling, DFT, molecular docking, and molecular dynamics simulations to identify multi-target small molecule inhibitors against Alzheimer's disease.},
  author = {Onwu DO and Oria RS and Adekunle YA and Adams MD and Ani ON and Adele H and Tyohemba TS and Osioma E and Popoola BM and Bakare OS and Okon VE and Maxwell CC},
  year = {2026},
  journal = {Naunyn-Schmiedeberg's archives of pharmacology},
  doi = {10.1007/s00210-026-05824-6},
  url = {https://doi.org/10.1007/s00210-026-05824-6}
}

RIS

TY  - JOUR
TI  - Integration of network pharmacology, structure-based pharmacophore modeling, DFT, molecular docking, and molecular dynamics simulations to identify multi-target small molecule inhibitors against Alzheimer's disease.
AU  - Onwu DO
AU  - Oria RS
AU  - Adekunle YA
AU  - Adams MD
AU  - Ani ON
AU  - Adele H
AU  - Tyohemba TS
AU  - Osioma E
AU  - Popoola BM
AU  - Bakare OS
AU  - Okon VE
AU  - Maxwell CC
PY  - 2026
JO  - Naunyn-Schmiedeberg's archives of pharmacology
DO  - 10.1007/s00210-026-05824-6
UR  - https://doi.org/10.1007/s00210-026-05824-6
ER  - 

APA

DO, O., RS, O., YA, A., MD, A., ON, A., H, A., TS, T., E, O., BM, P., OS, B., VE, O., & CC, M. (2026). Integration of network pharmacology, structure-based pharmacophore modeling, DFT, molecular docking, and molecular dynamics simulations to identify multi-target small molecule inhibitors against Alzheimer's disease.. Naunyn-Schmiedeberg's archives of pharmacology. https://doi.org/10.1007/s00210-026-05824-6

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