AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Fanconi anemia group B protein

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused 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.

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

Q8NB91

UPID:

FANCB_HUMAN

Alternative names:

Fanconi anemia-associated polypeptide of 95 kDa

Alternative UPACC:

Q8NB91; B2RMZ4; Q7Z2U2; Q86XG1

Background:

The Fanconi anemia group B protein, also known as a Fanconi anemia-associated polypeptide of 95 kDa, plays a crucial role in cellular mechanisms, specifically in DNA repair. It is essential for the ubiquitination of FANCD2, a process vital for the maintenance of genomic stability and repair of DNA damage.

Therapeutic significance:

Fanconi anemia complementation group B, a disorder linked to this protein, affects bone marrow elements leading to various hematological issues and predisposition to malignancies. Understanding the role of Fanconi anemia group B protein could open doors to potential therapeutic strategies, especially in enhancing DNA repair mechanisms to treat or manage this condition.

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