ChemDiv’s library of small molecule compounds with anti-inflammatory properties comprises 28,000 compounds.
The small molecule library dedicated to anti-inflammatory drug discovery is a highly specialized and comprehensive collection, designed to address the critical need for novel anti-inflammatory agents in therapeutic research.
The development of anti-inflammatory drugs is essential in the medical field, given the wide array of diseases and conditions where inflammation plays a key role, including autoimmune diseases, allergies, and chronic pain conditions. New, more effective anti-inflammatory agents are constantly in demand to improve patient outcomes and manage a variety of inflammatory disorders.
The library specifically targets a range of key molecules and pathways involved in inflammation, including:
● Tumor Necrosis Factor (TNF),
● Toll-Like Receptor 7 (TLR7),
● various Kinases such as Jak1, Itk, and IRAK-4,
● Phosphodiesterase 4 (PDE4),
● P2X7 receptor,
● Nuclear Factor kappa-light-chain-enhancer of activated B cells (NF-kB),
● Other inflammatory-related proteins
These targets are crucial in the modulation of inflammatory responses and represent promising points of intervention for therapeutic development.
The library boasts a high diversity coefficient of 0.8416, indicative of a wide variety of chemical entities. It has 654 scaffolds and 544 different heterocycles, which shows that it has a variety of different structures and could be used to design novel anti-inflammatory drugs.
The molecular weight range of the compounds spans from 175 to 600, with an average of 393, while the polar surface area (PSA) ranges between 18 and 207, averaging 82. These properties are tailored to optimize the drug-like characteristics and bioavailability of the compounds.
With 10355 screens performed, the library has undergone extensive evaluation to identify compounds with potent anti-inflammatory activity. This extensive screening process ensures that the library contains high-quality candidates for drug development.
This library is a valuable asset for academic researchers and pharmaceutical companies seeking to develop new anti-inflammatory medications. It is focused on a broad spectrum of anti-inflammatory targets, increasing the likelihood of discovering novel compounds with unique mechanisms of action. The diversity in chemical structures and the extensive screening data provide a solid foundation for identifying lead compounds with beneficial pharmacological profiles. Furthermore, the detailed molecular property data aids in the selection of compounds with optimal pharmacokinetics and pharmacodynamics. Overall, the library presents a robust platform for accelerating the discovery and development of new, more effective anti-inflammatory drugs, ultimately contributing to better healthcare solutions for inflammatory diseases.