ChemDiv’s library of small molecules targeting various infectious pathogens contains 19,320 compounds.
This set is an advanced and comprehensive collection designed to accelerate drug discovery against a broad spectrum of infectious diseases. Given the constant emergence and evolution of infectious diseases, a versatile and comprehensive drug discovery tool like this library is essential. It addresses the urgent need for new treatments against a wide range of infections, many of which are becoming increasingly resistant to existing therapies.
The library focuses on a wide array of infectious agents, targeting diseases caused by prions, viruses, bacteria, fungi, and protozoa. This inclusive approach ensures that the library is equipped to handle a diverse range of pathogenic mechanisms and infection types.
The development of the library involves sophisticated analyses such as isosteric and bioisosteric transformations, identification of hot-spots and crucial binding points, and scaffold hopping. Additionally, it utilizes 2D topological and 3D similarity analyses, along with 2D and 3D fingerprints, to ensure the selection of compounds with the most promising therapeutic potential.
Special emphasis is placed on scaffold and target priority/profiling, ensuring that each compound is tailored to interact effectively with specific biological targets. This strategy is complemented by Computer-Aided Drug Design (CADD) techniques, further enhancing the precision and efficacy of the library.
The incorporation of 3D pharmacophore modeling allows for a more nuanced understanding of the molecular interactions between the compounds and their targets, facilitating the discovery of molecules with optimal binding characteristics. The library prioritizes novel chemistry and scaffold prioritization, venturing into new chemical spaces to uncover unique and effective therapeutic agents.
The following pathogens and related diseases were counted during development of the library
Creutzfeldt Jakob disease,
Fatal familial insomnia
This library offers researchers and pharmaceutical companies a versatile platform for discovering new drugs against various infectious agents. Its broad spectrum targeting, combined with advanced analytical techniques, provides a high probability of identifying potent and selective compounds. The focus on novel chemistry and scaffold prioritization ensures the discovery of innovative molecules, potentially leading to the development of next-generation therapeutics. The comprehensive nature of the library, covering diseases from viral to protozoal infections, makes it an invaluable resource in the fight against global infectious diseases. This approach not only accelerates the drug discovery process but also enhances the potential for developing effective treatments for a multitude of infectious conditions.