Targeting Metalloproteins by Fragment-Based Lead Discovery

Fragment - based Lead Discovery

Fragment-Based Lead Discovery by NMR

fragment-based lead discovery because it combines high sensitivity and robustness to loose fragment binders with unique structural resolution and throughput. Favourable applications include screening against shallow binding pockets (such as protein-protein interactions) and side-pockets outside the highly conserved active centre of the major target classes (such as protein kinases and proteases...

Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach.

The bacterial sliding clamp (SC), also known as the DNA polymerase III β subunit, is an emerging antibacterial target that plays a central role in DNA replication, serving as a protein-protein interaction hub with a common binding pocket to recognize linear motifs in the partner proteins. Here, fragment-based screening using X-ray crystallography produced four hits bound in the linear-motif-bin...

The Role of Fragment-based Discovery in Lead Finding

Novel Strategy for Three-Dimensional Fragment-Based Lead Discovery

Fragment-based drug design (FBDD) is considered a promising approach in lead discovery. However, for a practical application of this approach, problems remain to be solved. Hence, a novel practical strategy for three-dimensional lead discovery is presented in this work. Diverse fragments with spatial positions and orientations retained in separately adjacent regions were generated by deconstruc...