Overview
- Current Pharmaceutical Analysis published the study screening Aloe vera molecules against cholinesterase targets using molecular docking and dynamics.
- Beta-sitosterol emerged as a top dual binder to acetylcholinesterase and butyrylcholinesterase with predicted affinities of −8.6 and −8.7 kcal/mol, respectively.
- ADMET modeling indicated favorable absorption and low predicted toxicity for beta-sitosterol and succinic acid.
- The findings prioritize candidates for experimental follow-up rather than establishing therapeutic efficacy or safety.
- Media coverage noted beta-sitosterol’s presence in supplements, and researchers warned against self-medication pending rigorous testing.