In this review, a general introduction to fragment-based drug design and the underlying
concepts is given. General considerations and methodologies ranging from library …

The practices and tactics employed in successful optimizations are examined, judged from
the trajectories of ligand efficiency and property evolution. A wide range of targets is …

Fragment-based drug design has introduced a bottom-up process for drug development,
with improved sampling of chemical space and increased effectiveness in early drug …

DNA gyrase and topoisomerase IV are well-validated pharmacological targets, and
quinolone antibacterial drugs are marketed as their representative inhibitors. However, in …

The human soluble epoxide hydrolase (sEH) is a bifunctional enzyme that modulates the
levels of regulatory epoxy lipids. The hydrolase activity is carried out by a catalytic triad …

Highlights•Thermodynamic signature render ligands with enthalpy-dominated profile as
superior.•Chagrin followed initial euphoria as thermodynamics were evaluated on …

Rational drug design focuses on the explanation and prediction of complex formation
between therapeutic targets and small-molecule ligands. As a third and often overlooked …

Fragment‐based drug discovery (FBDD) is a crucial strategy for developing new drugs that
have been applied to diverse targets, from neglected infectious diseases to cancer. With at …

Introduction: The enthalpic and entropic components of the ligand–protein binding free
energy reflect the type and quality of the interactions and relate to the physicochemical …

Fragment-based approaches in chemical biology and drug discovery have been widely
adopted worldwide in both academia and industry. Fragment hits tend to interact weakly with …