Synthesis of some 1,3,4-thia-, oxa-diazol and 1,2,4 triazole incorporated the biologically active and the pyrazolopyri-dine derivative. Molecular modeling and docking of the active compounds into AKR1C3 complexed with...Synthesis of some 1,3,4-thia-, oxa-diazol and 1,2,4 triazole incorporated the biologically active and the pyrazolopyri-dine derivative. Molecular modeling and docking of the active compounds into AKR1C3 complexed with its bound inhibitor indomethacin using Molsoft ICM 3.4-8C program were performed in order to predict the affinity and orientation of the synthesized compounds at the active site.展开更多
文摘Synthesis of some 1,3,4-thia-, oxa-diazol and 1,2,4 triazole incorporated the biologically active and the pyrazolopyri-dine derivative. Molecular modeling and docking of the active compounds into AKR1C3 complexed with its bound inhibitor indomethacin using Molsoft ICM 3.4-8C program were performed in order to predict the affinity and orientation of the synthesized compounds at the active site.
