Conduct molecular dynamics simulations to assess the stability of the binding between the lead compounds and the xanthine oxidase active site. This step helps to understand the dynamic behavior of the compounds when interacting with the target protein.
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N-(2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl)methanesulfonamide
tert-butyl (S)-3-((5-bromo-2-chloropyrimidin-4-yl)amino)piperidine-1-carboxylate
bis(benzonitrile)palladium(II) dichloride
(4-{bis[2-(pyridine-2-yl)ethyl]amino}phenyl)(4,5-dimethoxy-2-nitrophenyl)methanol
(E)-4-(4-isopropylphenyl)-4-oxo-2-butenoic acid (3,5-dimethoxyphenyl)amide
