شماره ركورد كنفرانس :
4865
عنوان مقاله :
Theoretical Study of Carbonic Anhydrase Inhibition by natural products
پديدآورندگان :
Ghiasi Mina ghiasi@alzahra.ac.ir Alzahra University , Gholami Samira gholamisamira18@yahoo.com Alzahra University
كليدواژه :
Carbonic anhydrase , DFT , Inhibitor , Spermine.
عنوان كنفرانس :
بيست و دومين كنفرانس ملي شيمي فيزيك ايران
چكيده فارسي :
Polyamines as important natural products are small aliphatic molecules that increase carbonic anhydrase activity, but new research has shown that they have which recently act as an inhibitor. In the present paper, we used the B3lyp method with the standard 6-31+g* basic set to predict the optimized geometries and interaction energies between polyamines and CA active site
