Quantification of Hydrogen-Bond-Donating Ability of Biologically Relevant Compounds.

ABSTRACT: Hydrogen bonding is a key factor in the design of ligands for biological binding, including drug targets. Our group previously developed a method for experimentally assessing the hydrogen-bond-donating ability of an analyte using UV-vis titrations with a colorimetric sensor. Using this method, 79 new titrations were performed on weak hydrogen-bond donors, with a focus on heterocycles and pharmaceutically relevant motifs. The hydrogen-bond donating abilities of drug compounds and the substructures of drug compounds were also measured. These titrations will be used to build a database of hydrogen-bond donors.

SUBMITTER: Berlin CB 

PROVIDER: S-EPMC11305090 | biostudies-literature | 2024 Apr

REPOSITORIES: biostudies-literature