ABSTRACT
Objective To screen protein disulfide isomerase(PDI)inhibitors from zinc- and selenium-rich green tea and to examine the effect of PDI inhibitors on platelet aggregation. Methods Protein structure file of PDI(PDB ID:4EKZ)was downloaded from protein data bank and the current known 20 compounds in green tea were used to establish a small chemical library. The effects of 6 hit compounds by virtual screening on enzymatic activity of PDI were validated. The antiplatelet activities of the effective compounds tested on PDI enzymatic activi ty were further evaluated. Results 2 of 6 hit compounds by virtual screening ,ECG and EGCG displayed inhibitory effect on enzymatic activity of PDI. In addition ,both compounds showed the potential inhibitory effect on platelet aggregation induced by adenosine diphosphate (ADP) in vitro. Conclusion The effect of blood-activating and stasis-dissolving regulation of green tea is associated with its inhibitory effect on PDI. ECG and EGCG are major active components.
ABSTRACT
Objective To screen protein disulfide isomerase(PDI)inhibitors from zinc- and selenium-rich green tea and to examine the effect of PDI inhibitors on platelet aggregation. Methods Protein structure file of PDI(PDB ID:4EKZ)was downloaded from protein data bank and the current known 20 compounds in green tea were used to establish a small chemical library. The effects of 6 hit compounds by virtual screening on enzymatic activity of PDI were validated. The antiplatelet activities of the effective compounds tested on PDI enzymatic activi ty were further evaluated. Results 2 of 6 hit compounds by virtual screening ,ECG and EGCG displayed inhibitory effect on enzymatic activity of PDI. In addition ,both compounds showed the potential inhibitory effect on platelet aggregation induced by adenosine diphosphate (ADP) in vitro. Conclusion The effect of blood-activating and stasis-dissolving regulation of green tea is associated with its inhibitory effect on PDI. ECG and EGCG are major active components.