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A positively charged nitrogen atom at the N-7 position was important for activity. Replacement of -OCH by -OH at the C-9 and C-10 positions could decrease the inhibitory activity, while the hydrophobic field contour map revealed that the hydrophobicity of the C-10 position was associated with high activity. Moreover, the hydrogen bond acceptor field contour map suggested that the existence of a hydrogen bond acceptor at the C-3 and C-9 positions might affect the inhibition rate. 3D-QSAR provided meaningful clues to the structural features of berberine analo
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