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AntiInfective library

Preferred format:
Desirable size of the custom library selection:
  • Mg
  • uMol
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.
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