Magnetic Resonance Center (CERM), University of Florence, Florence, Italy.
J Med Chem. 2010 May 27;53(10):4285-9. doi: 10.1021/jm901723z.
For several drug leads obtained by tethering weak binding ligands, the dissociation constant is smaller than the product of those of the individual fragments by a factor named the linking coefficient, E. This favorable contribution is attributed to the entropic gain that is realized when two weak binding ligands are tethered. Here we show a case study where the linking coefficient is strikingly small (E = 2.1 x 10(-3) M(-1)) and its totally entropic nature is demonstrated.
对于通过连接弱结合配体获得的几个药物先导化合物，其离解常数比各个片段的离解常数的乘积小一个称为连接系数 E 的因子。这种有利的贡献归因于当两个弱结合配体连接时实现的熵增益。在这里，我们展示了一个案例研究，其中连接系数非常小（E = 2.1 x 10(-3) M(-1)），并且证明了其完全的熵性质。
