AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Fanconi anemia group A protein

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

O15360

UPID:

FANCA_HUMAN

Alternative names:

-

Alternative UPACC:

O15360; A5D923; B4DRI7; H3BSR5; O75266; Q6PL10; Q92497; Q96H18; Q9UEA5; Q9UEL8; Q9UEL9; Q9UPK3; Q9Y6M2

Background:

The Fanconi anemia group A protein plays a crucial role in DNA repair, specifically in postreplication repair or cell cycle checkpoint functions. It is pivotal in interstrand DNA cross-link repair and maintaining chromosome stability, safeguarding the cell's genetic integrity.

Therapeutic significance:

Fanconi anemia, complementation group A, a disorder marked by bone marrow failure and increased cancer risk, is directly linked to mutations in this protein. Understanding its mechanisms offers a pathway to targeted therapies, potentially correcting the defective DNA repair process.

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