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Halogen-Enriched Fragment Library

Recently, halogen bonds have gained increased recognition as a useful molecular interaction in the life sciences and drug discovery. However, despite the potential of halogen moieties to positively affect ligand binding, standard libraries for fragment-based screening display very low number of compounds containing heavy halides. Halogen-enriched fragment libraries (HEFLibs) consist of chemical probes that allow to identify halogen bonds as one of the main features of the protein-ligand binding mode. Besides that, these fragment libraries provide smart starting points for hit-to-lead evolution.

Chelator Fragment Library

The principles of metal chelation provide significant opportunities for drug design that go beyond traditional notions of chelation as metal sequestration and elimination. Exploring these other possibilities could lead to pharmacological interventions that alter the concentration, distribution, or reactivity of metals in targeted ways for therapeutic benefit. A good example is fragment-based lead design (FBLD) that has been used to identify new metal-binding groups for metalloenzyme inhibitors. This and other approaches exploit the presence of the metal ion in these enzymes for the development of synthetic small molecules with therapeutic potential.

Natural Fragment Library

Natural products have contributed to the development of many drugs for diverse indications and they continue to be an important source of leads for new medicines, despite reduced interest from large pharmaceutical companies. The development of new technologies including fragment-based drug discovery (FBDD) has revolutionized the screening of natural products as potential therapeutic agents.

Ro3 Fragment Library

In the past decade, fragment based drug design (FBDD) has risen as a new and effective approach to identify lead compounds and continues to show great promise in drug discovery. It requires the use of sensitive techniques such as X-ray crystallography to identify hits among low molecular weight fragment compounds that have a weak binding affinity to a drug target. The hit fragments could be then structurally optimized to lead compounds with high affinity and specificity.

Alikeness PPI Focused Library

Majority of biological processes would not be possible without protein–protein interactions (PPIs). Human interactome is estimated to comprise more than 600,000 PPIs, and only a small part of them has been studied. PPIs are associated with a growing number of diseases and have garnered significant interest in pharmaceutical research offering attractive opportunities for therapeutic intervention. Designing molecules that interfere with the formation of protein complexes is one of the recent challenges in drug design.