A compound library or chemical library is a collection of stored chemicals usually used ultimately in high-throughput screening or industrial manufacture. Depending upon their scope (specific goal or diverse oriented goal) and design (chemical space or scaffold), our compound libraries can be classified as Focused Bioactive Libraries, Natural Product Libraries, Fragment Libraries, and Diversity Sets. These libraries have been extensively validated in our in- house biological assays and widely employed by research institutions and pharmaceutical companies in complementary screening strategies. Identifying novel and robust chemical starting points remains one of the biggest challenges in drug discovery today. Over the last decade, it has been common practice during the early stage of a project to screen vast numbers of compounds that cover larger section of chemical space evenly (diversity-led paradigm) in high-throughput assays in order to identify those chemicals which have the potential to modulate the target of interest. The costly nature of such mass screening, the consequent need to use reductionist assays that are optimized primarily for scale and speed, and the increasing realization that drug property space is far from random has more recently led to the use of smaller, higher quality screening collections (target-led approaches). All of these compound libraries and their screening approaches have their own particular advantages and disadvantages.
Compound Library Categories
Generally higher hit rates are observed in screening focused bioactive libraries when compared with the screening of diverse sets, and the hit clusters obtained from a successful focused library screening campaign usually exhibit discernable structure-activity relationships that facilitate follow up of these hits. Focused Bioactive Libraries is a powerful tool for drug screening, cell induction, drug repurposing, mechanism research, target identification, positive control and other related research fields.
Natural products are an unsurpassed source of chemical diversity and an ideal starting point for any screening program for pharmacologically active small molecules. Historically, natural products have been the most successful source of new drugs. Natural Product Libraries is a powerful tool for cell induction research and the drug screening focused on unique natural structures along with new bioactivity.
Fragment-based drug discovery (FBDD) has emerged in the past decade as an alternative approach to traditional lead identification via high-throughput screening (HTS). Unlike HTS, FBDD identifies smaller compounds, the “fragments,” which bind to different parts of a biological target. FBDD has played a role in discovery of 2 approved drugs (Vemurafenib and Venetoclax) and at least 30 drugs that are in various stages of clinical development. In response to this evident trend in drug discovery, TargetMol has designed its Fragment Libraries, including a selection of unique fragment subsets: Drug-Fragment Library, High Solubility Fragment Library, and Featured Fragment Library.