关键词: 类风湿性关节炎, 秋水仙碱, 分子对接, 配体, Lippinski, 生物电子等排

Abstract: Joint application of non-steroidal anti-inflammatory drugs and Colchicine has good drug effect on the treatment of acute arthritis. But Colchicine can cause serious side effects, including diarrhea, nausea, cramps, abdominal pain and vomiting. In this study, molecular docking simulation technology was used to design the bioelectron and other row inhibitors derived from Colchicine. All of the inhibitors were designed according to Lippinskis five (18) rules, so they all showed good drug and drug similar scores. Results showed that, the COL derivatives of all designs have a greater affinity than COL, and their physical and chemical properties are improved comparing with the female COL.

Key words: rheumatoid arthritis, Colchicine, molecular docking, ligand, Lippinski, bioisosteres