Biological evaluation, molecular docking and DFT calculations of pyrrole-based derivatives as dual acting AChE/MAO-B inhibitors

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Article title
Abstract
Introduction
Materials and methods
- Biological evaluations
  - In vitro AChE assay
- Molecular docking
- DFT calculations
Results and discussion
- Chemistry
  - In vitro evaluations
  - In vitro MAO-B assay
  - In vitro AchE assay
- Molecular docking in MAO-B
- Molecular docking in AChE
- DFT calculations
- Frontier molecular orbitals and global reactivity descriptors
Conclusion
Acknowledgments
References

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