The mitogen-activated protein kinase （MAPK） cell signal transduction pathways play a key role in determining the survival of cells. If these pathways can be controlled, they will prohibit the proliferation of cancer...The mitogen-activated protein kinase （MAPK） cell signal transduction pathways play a key role in determining the survival of cells. If these pathways can be controlled, they will prohibit the proliferation of cancer cells. To attain this goal, the authors utilize many drugs to interact with mitogen-activated protein kinase kinase-1 （MEK1） in MAPK, and use computer aided drug design （CADD） to analyze the ligand activities of proteins in MEKL The results show that in these drugs, the aromatic group in the terminal of the protein and the PHE209 will induce the stacking force, which is highly related to the actual activities of these drugs.展开更多
A new series of sulfonamide flavone derivatives are designed as non-covalent inhibitors of proteasome assisted with computer-aided drug design （CADD）. The desired compounds were synthesized successfully and the biol...A new series of sulfonamide flavone derivatives are designed as non-covalent inhibitors of proteasome assisted with computer-aided drug design （CADD）. The desired compounds were synthesized successfully and the biological evaluation was subsequently accomplished. The results showed negligible improvement from our lead compound （IC50 for β5 subunit was 14.0 μM）. Thus, these flavone derivatives might be improved as potential 20S proteasome inhibitors.展开更多
文摘The mitogen-activated protein kinase （MAPK） cell signal transduction pathways play a key role in determining the survival of cells. If these pathways can be controlled, they will prohibit the proliferation of cancer cells. To attain this goal, the authors utilize many drugs to interact with mitogen-activated protein kinase kinase-1 （MEK1） in MAPK, and use computer aided drug design （CADD） to analyze the ligand activities of proteins in MEKL The results show that in these drugs, the aromatic group in the terminal of the protein and the PHE209 will induce the stacking force, which is highly related to the actual activities of these drugs.
基金The National Natural Science Foundation of China(Grant No.21202003)the National Basic Research Program of China(Grant No.2012CB518000)the Specialized Research Fund for the Doctoral Program of Higher Education of China(Grant No.20120001110010)
文摘A new series of sulfonamide flavone derivatives are designed as non-covalent inhibitors of proteasome assisted with computer-aided drug design （CADD）. The desired compounds were synthesized successfully and the biological evaluation was subsequently accomplished. The results showed negligible improvement from our lead compound （IC50 for β5 subunit was 14.0 μM）. Thus, these flavone derivatives might be improved as potential 20S proteasome inhibitors.
