In Silico Prediction of Interactions between Site II on Human Serum Albumin and Profen Drugs
News Apr 03, 2013
Since binding of a drug molecule to human serum albumin (HSA) significantly affects the pharmacokinetics of the drug, it is highly desirable to predict the binding affinity of the drug. Profen drugs are a widely used class of nonsteroidal anti-inflammatory drugs and it has been reported that several members of the profen class specifically bind to one of the main binding sites named site II. The actual binding mode of only ibuprofen has been directly confirmed by X-ray crystallography. Therefore, it is of interest whether other profen drugs are site II binders. Docking simulations using multiple template structures of HSA from three crystal structures of complexes between drugs and HSA have demonstrated that most of the currently available profen drugs should be site II binders.
This article was published online in ISRN Pahrmaceutics and is free to access.
New Opportunities for Type 2 Diabetes Drug Discovery: Researchers Determine Glucagon Receptor StructureNews
Complex structure of a class B GPCR bound to an analogue of its endogenous ligand ignites new excitement in GPCR research.READ MORE
Innovative ALS Therapy Startup Wins Golden Ticket Funding From AmgenNews
Amgen and LabCentral have announced that Kernal Biologics Inc. and QurAlis have won the Amgen Golden Ticket at LabCentral.READ MORE