Computational techniques, such as molecular docking and molecular dynamics simulations, are used to predict the binding of 2-thiazolylhydrazone derivatives within the active site of MAO. These studies provide insights into the interactions between the compounds and the enzyme, helping to understand the binding affinity and selectivity.
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2-BENZYLIDENEHYDRAZINE-1-CARBOTHIOAMIDE
THIOSEMICARBAZIDE
1-(p-tolyl)-1,4-diazaspiro<5.5>undecane-3,5-dione
