Data-Driven Approaches Used for Compound Library Design for the Treatment of Parkinson's Disease.

ABSTRACT: Parkinson's disease (PD) is the second most common neurodegenerative disease in older individuals worldwide. Pharmacological treatment for such a disease consists of drugs such as monoamine oxidase B (MAO-B) inhibitors to increase dopamine concentration in the brain. However, such drugs have adverse reactions that limit their use for extended periods; thus, the design of less toxic and more efficient compounds may be explored. In this context, cheminformatics and computational chemistry have recently contributed to developing new drugs and the search for new therapeutic targets. Therefore, through a data-driven approach, we used cheminformatic tools to find and optimize novel compounds with pharmacological activity against MAO-B for treating PD. First, we retrieved from the literature 3316

SUBMITTER: Barrera-Vazquez O 

PROVIDER: S-EPMC9867512 | biostudies-literature | 2023 Jan

REPOSITORIES: biostudies-literature