Serum albumins are the most abundant proteins in the blood and are important for helping maintain blood pressure as well as transporting a variety of ions, fatty acids, and other small organic and organic drug ligands.  A series of detailed crystallographic studies have revealed the three-dimensional structures of a variety of drug:albumin complexes from various mammalian sources.  In addition, equilibrium binding affinities are available from a combination of spectroscopic, calorimetric, and chromatographic assays which estimate the relative affinities of these diverse therapeutics for serum albumins with either the Type-I, Type-II, and/or other binding sites within the protein.  Recent work in our laboratory has established biophysical methods for assessing the detailed binding energetics (K<sub>eq</sub>, DG, DH, DS, and DC<sub>p</sub>) of substituted-warfarins in both open and cyclic forms with human and bovine serum albumin.  In addition, we have begun work on a computational methodology for modeling relative drug binding affinities at the Type- and Type-II binding pockets.  Here we utilize a combination of biophysical experimental techniques including differential scanning calorimetry, fluorescence spectroscopy, circular dichroism spectroscopy, solution batch calorimetry, and dialysis to determine the competitive binding affinities of different drugs for which detailed structural information is available.  We also present results from computational modeling to assess the role that binding site architecture plays in these various energetics results.

Energetics of competitive drug binding in serum albumins

Macromolecular Chemistry: The Second Century

[Author Benefits](https://scimeetings.acs.org/?utm_source=pubs_content_marketing&utm_medium=website&utm_campaign=0320_MCF_NPI_Launch_Spring_Homepage&ref=pubs_content_marketing)

[How to use SciMeetings](https://storage.googleapis.com/dl.morressier.com/acs/SciMeetings-ACSSpring2020-HowToGuide_M3020-Final.pdf)

[Frequently Asked Questions](https://storage.googleapis.com/dl.morressier.com/acs/SciMtng_ACSNMSp2020_FAQ_M3120_Final.pdf)

ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.