物理化学学报 >> 2000, Vol. 16 >> Issue (05): 476-480.doi: 10.3866/PKU.WHXB20000521
贾红梅, 孟昭兴, 刘伯里, 王炜
Jia Hong-Mei, Meng Zhao-Xing, Liu Bo-Li, Wang Wei
The structure-affinity correlations of a series of benzamides for dopamine D 2 receptor imaging agents have been studied with SYBYL 6.4 software on SGI O 2 workstation. The results of conformational analysis and PM3 calculation have demonstrated that the coplanar effect of benzamides is one of the most important requirements for activity in vitro. The aromatic substituent in the 2 position is the main factor which influences the coplanar arrangement of pseudring (B) involving the amide moiety and the methoxy group relative to the aromatic ring, while the influences of other factors on this side such as the aromatic substituents in the 3 and 5 positions and the conformation of side chain may be neglected. The conclusion may be useful in understanding the interaction of D 2 receptor-ligand and designing new D2 receptor ligands.
Dopamine D2 receptor imaging agents,
贾红梅, 孟昭兴, 刘伯里, 王炜. 苯酰胺类D2受体显像剂的共平面效应[J]. 物理化学学报, 2000, 16(05): 476-480.
Jia Hong-Mei, Meng Zhao-Xing, Liu Bo-Li, Wang Wei. Coplanar Effect Studies on the Benzamides of Dopamine D2 Receptor Imaging Agents[J]. Acta Phys. -Chim. Sin., 2000, 16(05): 476-480.
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