Quantification of Hydrogen-Bond-Donating Ability of Biologically Relevant Compounds.
J Org Chem
; 89(7): 4684-4690, 2024 04 05.
Article
em En
| MEDLINE
| ID: mdl-38483838
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.
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MEDLINE
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Hidrogênio
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En
Ano de publicação:
2024
Tipo de documento:
Article