The case for a renewed focus on Nature in drug discovery is reviewed; not in terms of
natural product screening, but how and why biomimetic molecules, especially those …

This study presents an efficient strategy for constructing 3H-1, 2, 4-triazol-3-ones via a
copper-promoted [3+ 2] annulation reaction of amidine hydrochlorides and isocyanates. This …

N-Acyl indolines 4 are potent, non-covalent Notum inhibitors developed from a covalent
virtual screening hit 2a. The lead compounds were simple to synthesise, achieved excellent …

Molecular clustering analysis has been developed to facilitate visual inspection in the
process of structure-based virtual screening. However, traditional methods based on …

Notum is a carboxylesterase that suppresses Wnt signaling through deacylation of an
essential palmitoleate group on Wnt proteins. There is a growing understanding of the role …

The Wnt signaling suppressor Notum is a promising target for osteoporosis, Alzheimer's
disease, and colorectal cancers. To develop novel Notum inhibitors, we used an X-ray …

Human Notum (hNotum) inhibitors could be used for treating Wnt signalling-associated
diseases including colorectal cancer. Herein, two series of chalcone derivatives were …

The chapter discusses recent advances in computer‐aided drug discovery, with particular
emphasis on the concept and broad applications of chemical space and chemical or …

The manuscript discusses recent advances on computer-aided drug discovery (CADD) with
focus on data-dependent drug discovery. Herein, we do not intend to review the many …

In 2022 several major advances were made in the exploration of the chemistry of diazines
and their benzo derivatives. These compounds continue to find use as building blocks for …