High-prediction QSAR Modeling Study Based on the Efficacy of a Novel 6-hydroxybenzothiazole-2-carboxamide Targeted Monoamine Oxidase B in the Treatment of Neurodegenerative Diseases
In this study, we successfully improved the prediction ability of the efficacy of novel 6-hydroxybenzothiazole-2-carboxamide compounds to inhibit MAO-B by improving the QSAR model. This not only provides new drug candidates for the treatment of neurodegenerative diseases, but also provides important theoretical guidance for subsequent drug design and development, which can help accelerate the process of new drug discovery and reduce the disease burden of patients.
Authors
- Li Cao (ORCID: https://orcid.org/0000-0002-1580-7267)
- Dong Xie (ORCID: https://orcid.org/0009-0006-6780-1349)
- Jie Zhou (ORCID: https://orcid.org/0009-0003-5674-7808)
- Zhibiao Cai
- Xiaodong Qu (ORCID: https://orcid.org/0009-0007-0345-842X)
- Jie Mao (ORCID: https://orcid.org/0000-0003-4641-4674)
Institutions
- Gansu University of Traditional Chinese Medicine (CN)
- People's Liberation Army 401 Hospital (CN)
- Lanzhou University Second Hospital (CN)
- Chinese People's Liberation Army (CN)
- Lanzhou University (CN)
Publication Details
- Journal
- Medicinal Chemistry
- Published
- 2025-01-22
- DOI
- https://doi.org/10.2174/0115734064364749250102024805
- Primary Topic
- Computational Drug Discovery Methods
- Type
- article
- Field-Weighted Citation Impact
- 0.00