FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation was written by Wood, Daniel J.;Lopez-Fernandez, J. Daniel;Knight, Leanne E.;Al-Khawaldeh, Islam;Gai, Conghao;Lin, Shengying;Martin, Mathew P.;Miller, Duncan C.;Cano, Celine;Endicott, Jane A.;Hardcastle, Ian R.;Noble, Martin E. M.;Waring, Michael J.. And the article was included in Journal of Medicinal Chemistry in 2019.Quality Control of (4-Bromopyridin-2-yl)methanol This article mentions the following:
Identifying ligand binding sites on proteins is a critical step in target-based drug discovery. Current approaches to this require resource-intensive screening of large libraries of lead-like or fragment mols. Here, we describe an efficient and effective exptl. approach to mapping interaction sites using a set of halogenated compounds expressing paired hydrogen-bonding motifs, termed FragLites. The FragLites identify productive drug-like interactions, which are identified sensitively and unambiguously by X-ray crystallog., exploiting the anomalous scattering of the halogen substituent. This mapping of protein interaction surfaces provides an assessment of druggability and can identify efficient start points for the de novo design of hit mols. incorporating the interacting motifs. The approach is illustrated by mapping cyclin-dependent kinase 2, which successfully identifies orthosteric and allosteric sites. The hits were rapidly elaborated to develop efficient lead-like mols. Hence, the approach provides a new method of identifying ligand sites, assessing tractability and discovering new leads. pharmacophore double. In the experiment, the researchers used many compounds, for example, (4-Bromopyridin-2-yl)methanol (cas: 131747-45-0Quality Control of (4-Bromopyridin-2-yl)methanol).
(4-Bromopyridin-2-yl)methanol (cas: 131747-45-0) belongs to pyridine derivatives. Pyridines are an important class of heterocycles and occur in polysubstituted forms in many naturally occurring biologically active compounds, drug molecules and chiral ligands. Reduced pyridines, namely tetrahydropyridines, dihydropyridines and piperidines, are found in numerous natural and synthetic compounds. The synthesis and reactivity of these compounds have often been driven by the fact many of these compounds have interesting and unique pharmacological properties. Quality Control of (4-Bromopyridin-2-yl)methanol