Bioavailability through PepT1: the role of computer modelling in intelligent drug design.

ABSTRACT: In addition to being responsible for the majority of absorption of dietary nitrogen, the mammalian proton-coupled di- and tri-peptide transporter PepT1 is also recognised as a major route of drug delivery for several important classes of compound, including beta-lactam antibiotics and angiotensin-converting enzyme inhibitors. Thus there is considerable interest in the PepT1 protein and especially its substrate binding site. In the absence of a crystal structure, computer modelling has been used to try to understand the relationship between PepT1 3D structure and function. Two basic approaches have been taken: modelling the transporter protein, and modelling the substrate. For the former, computer modelling has evolved from early interpretations of the twelve transmembrane domain structure

SUBMITTER: Foley DW 

PROVIDER: S-EPMC3351990 | biostudies-literature | 2010 Mar

REPOSITORIES: biostudies-literature