AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Low affinity immunoglobulin gamma Fc region receptor III-A

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct targeted libraries.

 Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

Our library distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

P08637

UPID:

FCG3A_HUMAN

Alternative names:

CD16-II; CD16a antigen; Fc-gamma RIII-alpha; FcR-10; IgG Fc receptor III-2

Alternative UPACC:

P08637; A2N6W9; Q53FJ0; Q53FL6; Q5EBR4; Q65ZM6; Q6PIJ0

Background:

Low affinity immunoglobulin gamma Fc region receptor III-A, also known as CD16a antigen, plays a pivotal role in the immune system. It acts as a receptor for IgG, initiating antibody-dependent cellular cytotoxicity (ADCC) by natural killer (NK) cells against antibody-coated cells. This receptor is crucial for the elimination of infected or malignant cells, mediating both cell lysis and cytokine production.

Therapeutic significance:

The receptor's involvement in Immunodeficiency 20, characterized by severe viral infections due to NK cell dysfunction, underscores its therapeutic potential. Enhancing CD16a function could improve viral immunity, offering new avenues for treating immunodeficiencies and possibly cancer through optimized antibody therapies.

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