A phenylpropanoid is any of secondary metabolites with structures based on a phenylpropane skeleton.
We have developed a fluorescence binding assay for SAM-II riboswitch aptamer and identified an S-adenosylmethionine (SAM) analogue that selectively binds to SAM-II riboswitch aptamer with comparable binding affinity to its native metabolite using structure-based design approach.
The FOL library was created based on knowledge of protein structures and their cognate metabolite-binding partners for structure-based drug discovery, and was previously used to identify modulators of leukotriene A4 hydrolase [18].
Such prediction methods broadly fall into two categories, sequence-based and structure-based, each with complementary advantages and disadvantages.
The ATX structure liganded with HA155 triggered an ATX structure-based inhibitor design.
Trauelsen, M. et al. Receptor structure-based discovery of non-metabolite agonists for the succinate receptor GPR91.
Though structure-based modeling, such as metabolite docking, can identify substrates of some enzymes, it is ill-suited to reactions that progress through a covalent intermediate.
The seventy selected target metabolites were classified into four groups according to their chemical structure-based physiochemical characteristics (Table 2).
Using an optimization strategy focused on structure-based design and improving PK properties through metabolite identification, we obtained advanced leads with high oral exposure.
In vitro selection and structure-based searches have emerged as useful techniques for the discoveries of structurally complex RNAs with high affinity and specificity toward metabolites.
