شماره ركورد كنفرانس :
3834
عنوان مقاله :
RESEARCH COMMUNICATION BINDING OF SERTRALINE TO HUMAN SERUM ALBUMIN
پديدآورندگان :
Dezhampanah Hamid h.dpanah@guilan.ac.ir Department of Chemistry, Faculty of Science, University of Guilan, Rasht, Iran; . , Khabazkar Fateme fatemekh313@gmail.com Department of Chemistry, Faculty of Science, University of Guilan, Rasht, Iran;
كليدواژه :
Docking , Human serum albumin , Sertraline
عنوان كنفرانس :
نوزدهمين سمينار شيمي فيزيك ايران
چكيده فارسي :
Human serum albumin is the version of serum albumin found in human blood. It is the most abundant protein in human blood plasma; it constitutes about half of serum protein and transport proteins for a variety of endogenous and exogenous substances such as fatty acids, hormones and drugs. Docking simulations using multiple template structures of human serum albumin from three crystal structures of complexes between drug and human serum albumin have demonstrated Sertraline drug bind with site II of Human serum albumin. More investigation also revealed that these Sertraline drug bind to the amino acids on the hydrophobic pocket of human serum albumin and not change to the secondary structure of the human serum albumin with free binding energy of -7.48 kcal mol-1.