Exploratory experiment designed to discover new patterns targeting PRMT1 in computational molecular docking. Primary outcome: validation of protein-compound and protein-protein interactions
Molecular docking studies were performed to validate the interactions between ginger active compounds and the identified core gene PRMT1, as well as to confirm the relationship between PRMT1 and its upstream transcription factor EGR1 and downstream protein BTG2. This computational approach was used to predict binding affinities and validate the proposed signaling axis mechanisms at the molecular level.
molecular docking analysis using computational software to predict binding interactions between ginger compounds and PRMT1, and between PRMT1 and its regulatory partners EGR1 and BTG2
confirmation of favorable binding interactions supporting the proposed mechanism
demonstration of stable binding conformations with favorable docking scores
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