Integrative snRNA‐seq, molecular docking and dynamics simulations identifies Lasmiditan as drug candidate for Alzheimer's disease
20 key transcriptional regulators (DERs) were identified linked to AD in myeloid, and neuronal cell populations. The DERs correlated with Braak stage, APOE genotype, and aging. ETV6 is a potentially viable therapeutic target due to its ability to form stable and strongly interacting complexes across multiple drugs. Lasmiditan showed the strongest binding to ETV6 (RMSD: 2.98 Å, H-bonds: 68.38) and optimal blood-brain-barrier (BBB) penetration (LogP 3-4, TPSA 60-75). Lasmiditan is a potentially promising AD therapeutic candidate that warrants further preclinical validation.
Authors
- Hui Shen (ORCID: https://orcid.org/0000-0003-0335-6064)
- Hong‐Wen Deng (ORCID: https://orcid.org/0000-0002-0387-8818)
- Boluwatife Afolabi (ORCID: https://orcid.org/0000-0002-4211-0254)
- Martin C. Nwadiugwu (ORCID: https://orcid.org/0000-0001-6788-8305)
- Demetrius M. Maraganore (ORCID: https://orcid.org/0000-0001-5351-3983)
- Md. Selim Reza (ORCID: https://orcid.org/0000-0002-0540-5459)
Institutions
- Tulane University (US)
Publication Details
- Journal
- Clinical and Translational Medicine
- Published
- 2025-08-01
- DOI
- https://doi.org/10.1002/ctm2.70443
- Citations
- 2
- Primary Topic
- RNA and protein synthesis mechanisms
- Type
- article
- Field-Weighted Citation Impact
- 1.61
Funders
- National Institutes of Health