Mechanism of nimodipine in treating neurodegenerative diseases: in silico target identification and molecular dynamic simulation
Nimodipine binds to the internal pocket of MAOA and shows potential inhibitory effects. Given its brain-enrichment characteristics and proven neuroprotective effects, it is hypothesized that nimodipine may exert therapeutic effects on NDDs by inhibiting MAOA activity and modulating cerebral oxidative stress. Thus, MAOA emerges as a promising new target for nimodipine in the treatment of NDDs.
Authors
- Shuainan Tang
- Xin Jiang (ORCID: https://orcid.org/0000-0002-7288-8278)
- Juntao Guo (ORCID: https://orcid.org/0000-0002-4438-6692)
- Shuang Zheng (ORCID: https://orcid.org/0000-0002-1011-4672)
- Yin Wang
- Duan Ma
Institutions
- Anhui University of Traditional Chinese Medicine (CN)
Publication Details
- Journal
- Frontiers in Pharmacology
- Published
- 2025-03-13
- DOI
- https://doi.org/10.3389/fphar.2025.1549953
- Citations
- 6
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 9.03