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.
One in Five Materials Chemistry Papers May be Wrong, Study SuggestsNews
The replicability of results from scientific studies has become a major source of concern in the research community, particularly in the social sciences and biomedical sciences. A new study that compared the results reported in thousands of papers published about the properties of metal organic framework (MOF) materials – which are prominent candidates for carbon dioxide adsorption and other separations – suggests the replicability problem should be a concern for materials researchers, too.READ MORE
Children With Congenital Zika Virus Infection Face Serious Challenges as They AgeNews
The report from the CDC is the first to describe the health and developmental effects of congenital Zika virus infection in children with microcephaly through 2 years of age.READ MORE