《Rapid Discovery of Aspartyl Protease Inhibitors Using an Anchoring Approach》 was published in ChemMedChem in 2020. These research results belong to Konstantinidou, Markella; Magari, Francesca; Sutanto, Fandi; Haupenthal, Joerg; Jumde, Varsha R.; Uenver, M. Yagiz; Heine, Andreas; Camacho, Carlos Jamie; Hirsch, Anna K. H.; Klebe, Gerhard; Doemling, Alexander. Category: ethers-buliding-blocks The article mentions the following:
Pharmacophore searches that include anchors, fragments contributing above average to receptor binding, combined with one-step syntheses are a powerful approach for the fast discovery of novel bioactive mols. Here, the authors are presenting a pipeline for the rapid and efficient discovery of aspartyl protease inhibitors. First, the authors hypothesized that hydrazine could be a multi-valent warhead to interact with the active site Asp carboxylic acids. The authors incorporated the hydrazine anchor in a multicomponent reaction and created a large virtual library of hydrazine derivatives synthetically accessible in one-step. Next, the authors performed anchor-based pharmacophore screening of the libraries and resynthesized top-ranked compounds The inhibitory potency of the mols. was finally assessed by an enzyme activity assay and the binding mode confirmed by several soaked crystal structures supporting the validity of the hypothesis and approach. The herein reported pipeline of tools will be of general value for the rapid generation of receptor binders beyond Asp proteases.2-(Benzyloxy)acetaldehyde(cas: 60656-87-3Category: ethers-buliding-blocks) was used in this study.
2-(Benzyloxy)acetaldehyde(cas: 60656-87-3) may be used in the following syntheses: (3S,5S)-methyl 6-benzyloxy-3,5-dihydroxyhexanoate ,(S)-5-benzyloxy-4-hydroxypentan-2-one, myxothiazols.Category: ethers-buliding-blocks
Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem