Sharma B K, Sarbhai Kirti, Singh P, Sharma Susheela
Department of Chemistry, S. K. Government College, Sikar, India.
J Enzyme Inhib Med Chem. 2008 Jun;23(3):437-43. doi: 10.1080/14756360701655073.
The affinity profiles for the bovine adenosine receptors, A(1) and A(2A), of a series of 1,8-naphthyridine derivatives were quantitatively analyzed using physicochemical and structural parameters of the substituents, present at varying positions of the molecules. The derived significant correlation, for bovine A(1) receptor, suggested that a R(1) substituent having a higher van der Waals volume, a R(2) substituent being a hydrogen-bond donor and a R(3) substituent able to transmit a higher field effect are helpful in augmenting the pK(i) of a compound. Similarly the study, pertaining to bovine A(2A) receptor, revealed that a less bulky substituent at R(2) and a strong electron-withdrawing substituent at R(3) are desirable in improving the binding affinity of a compound while substituents at R(1) remain insignificant to any interaction.
利用一系列1,8-萘啶衍生物分子不同位置上取代基的物理化学和结构参数，对牛腺苷受体A(1)和A(2A)的亲和力谱进行了定量分析。对于牛A(1)受体，得出的显著相关性表明，具有较高范德华体积的R(1)取代基、作为氢键供体的R(2)取代基以及能够传递较高场效应的R(3)取代基，有助于提高化合物的pK(i)。同样，关于牛A(2A)受体的研究表明，R(2)处体积较小的取代基和R(3)处强吸电子取代基有利于提高化合物的结合亲和力，而R(1)处的取代基对任何相互作用都无显著影响。
