Molecular Modeling and Spectroscopic Studies on Interaction of 4-Methoxy-N-[4-(3-morpholin-4-yl-propoxy)-phenyl]-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-benzamide with Human Serum Albumin
  
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KeyWord:1z  HSA  interaction  fluorescence spectrum  molecular docking  UV-Vis absorption spectroscopy
  
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LI Na,WANG Qian-qian,YANG Li-juan,LIU Wei,SUN Xiang-de 新乡医学院药学院
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Abstract:
      Combined with molecular docking model,quenching fluorescence,synchronous fluorescence,tridimensional fluorescence and UV-Vis absorption spectroscopy were applied to investigate the interactions of 4-methoxy-N-[4-(3-morpholin-4-yl-propoxy)-phenyl]-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-benzamide(1z) and human serum albumin(HSA) under simulative physiological conditions(pH 7.4) at the temperature of 298 K and 310 K,and the interaction mechanism was studied.The results showed that the quenching of 1z to HSA is probably a static process,and the conformation of HSA altered with the addition of 1z.The combination of theoretical research and experimental result provides a basis for studying the action mechanism of protein with drug,which further provides a certain experimental basis for study of small molecules of drugs in treatment of chronic myeloid leukemia.
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