The discovery of organic ligands that bind specifically to proteins is a central problem in
chemistry, biology, and the biomedical sciences. The encoding of individual organic …

There has been much debate around the success rates of various screening strategies to
identify starting points for drug discovery. Although high-throughput target-based and …

The discovery of protein ligands, capable of forming a reversible covalent bond with amino
acid residues on a protein target of interest, may represent a general strategy for the …

The rational combination of techniques from the fields of nanotechnology, single molecule
detection, and lead discovery could provide elegant solutions to enhance the throughput of …

The interaction between a ligand and a protein involves a multitude of conformational states.
To achieve a particular deeply bound pose, the ligand must search across a rough free …

BET proteins are key epigenetic regulators that regulate transcription through binding to
acetylated lysine (AcLys) residues of histones and transcription factors through …

Deoxyelephantopin is a sesquiterpene lactone that was reported to be as effective in the
treatment of mammary tumours and lung metastasis as taxol based on a murine orthotopic …

Compound attrition is one of the main reasons for the increasing costs of drug discovery
projects. Many candidate drug molecules fail because they do not reach the site of action …

As a result of the high cost of drug discovery, it is imperative that promising targets with
strong disease association are identified and validated before embarking on costly molecule …