It is generally recognized that drug discovery and development are very time and resources
consuming processes. There is an ever growing effort to apply computational power to the …

It is over 20 years since the first fragment-based discovery projects were disclosed. The
methods are now mature for most 'conventional'targets in drug discovery such as enzymes …

The 3 human RAS genes, KRAS, NRAS, and HRAS, encode 4 different RAS proteins which
belong to the protein family of small GTPases that function as binary molecular switches …

Metabolic profiling, metabolomic and metabonomic studies mainly involve the
multicomponent analysis of biological fluids, tissue and cell extracts using NMR …

Fragment-based drug discovery (FBDD) is well suited for discovering both drug leads and
chemical probes of protein function; it can cover broad swaths of chemical space and allows …

The field of fragment-based drug discovery (FBDDa) has developed significantly over the
past 10 years and is now recognized as a tangible alternative to more traditional methods of …

This Essay highlights the growing need for organic chemistry research to enable FBDD and
we address two questions often asked:“What are the chemical characteristics of a good …

Studying disease models at the molecular level is vital for drug development in order to
improve treatment and prevent a wide range of human pathologies. Microbial infections are …

Fragment-based lead discovery (also referred to as needles, shapes, binding elements,
seed templates or scaffolds) is a new lead discovery approach in which much lower …

Current approaches to evaluate molecular complexity use algorithmic complexity, rooted in
computer science, and thus are not experimentally measurable. Directly evaluating …