Denesyuk A I, Denessiouk K A, Zav'yalov V P, Lundell J, Korpela T
Institute of Immunological Engineering, Moscow Region, Russia.
Comput Chem. 1998 Jun 20;22(4):339-44. doi: 10.1016/s0097-8485(97)00067-3.
Three immunosuppressant drugs, cyclosporin A, FK506 and rapamycin were compared in their three-dimensional structures by computer modelling. The pairwise comparisons of cyclosporin A, FK506 and rapamycin show two structurally common fragments. One fragment is Mle9-Bmt1 region in cyclosporin A, C22-O5 region in FK506 and C29-O5 region in rapamycin. Another fragment is Mle4-Mle6 region in cyclosporin A and C14-C21 regions in FK506 and rapamycin. The correspondence of the structurally analogous regions with the regions which are involved in the interactions with peptidyl-prolyl cis/trans isomerases and calcineurin or FKBP-rapamycin-associated protein is discussed.
通过计算机建模对三种免疫抑制剂药物环孢素A、FK506和雷帕霉素的三维结构进行了比较。环孢素A、FK506和雷帕霉素的两两比较显示出两个结构上的共同片段。一个片段是环孢素A中的Mle9 - Bmt1区域、FK506中的C22 - O5区域和雷帕霉素中的C29 - O5区域。另一个片段是环孢素A中的Mle4 - Mle6区域以及FK506和雷帕霉素中的C14 - C21区域。讨论了结构类似区域与参与与肽基 - 脯氨酰顺/反异构酶、钙调神经磷酸酶或FKBP - 雷帕霉素相关蛋白相互作用的区域之间的对应关系。
