Exploring the Potential of Oleanolic Acid Dimers-Cytostatic and Antioxidant Activities, Molecular Docking, and ADMETox Profile.

ABSTRACT: The presented work aimed to explore the potential of oleanolic acid dimers (OADs): their cytostatic and antioxidant activities, molecular docking, pharmacokinetics, and ADMETox profile. The cytostatic properties of oleanolic acid (1) and its 14 synthesised dimers (2a-2n) were evaluated against 10 tumour types and expressed as IC₅₀ values. Molecular docking was performed with the CB-Dock2 server. Antioxidant properties were evaluated with the CUPRAC method. ADMETox properties were evaluated with the ADMETlab Manual (2.0) database. The results indicate that the obtained OADs can be effective cytostatic agents, for which the IC₅₀ not exceeded 10.00 for many tested cancer cell lines. All OADs were much more active against all cell lines than the mothe

SUBMITTER: Gunther A 

PROVIDER: S-EPMC11313909 | biostudies-literature | 2024 Jul

REPOSITORIES: biostudies-literature