Focused On-demand Library for Fanconi anemia group B protein

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

Our top-notch dedicated system is used to design specialised libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project 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.