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在所合成的30种单环β-内酰胺中选择四种化合物经结构简化后进行量子化学CNDO/2计算,并绘制出分子静电势图。所得结果进一步支持了作者在双环受体作用模式基础上对单环β-内酰胺酶抑制剂受体作用模式的设想。绘制了已临床应用的青霉烷砜酸(CP45899)的分子静电势图进行对比,认为单环β-内酰胺与双环β-内酰胺酶抑制剂具有相近的受体作用模式。
Among the 30 kinds of monocyclic β-lactams synthesized, four compounds were selected and calculated by quantum chemical CNDO / 2 after the structure was simplified, and the molecular electrostatic potential diagram was drawn. The results further support the authors’ conception of the mode of action of the monocyclic beta-lactamase inhibitor receptors on the basis of the mode of action of the bicyclic receptors. The molecular electrostatic potential diagram of penicillin alkanesulfonic acid (CP45899) has been drawn and compared. It is concluded that monocyclic β-lactam and bicyclic β-lactamase inhibitors have similar receptor mode of action.