Focused On-demand Library for Fanconi anemia group J protein

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.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9BX63

UPID:

FANCJ_HUMAN

Alternative names:

ATP-dependent RNA helicase BRIP1; BRCA1-associated C-terminal helicase 1; BRCA1-interacting protein C-terminal helicase 1

Alternative UPACC:

Q9BX63; A0A024QZ45; Q3MJE2; Q8NCI5

Background:

The Fanconi anemia group J protein, also known as ATP-dependent RNA helicase BRIP1, BRCA1-associated C-terminal helicase 1, and BRCA1-interacting protein C-terminal helicase 1, plays a crucial role in maintaining chromosomal stability. It functions as a DNA-dependent ATPase and 5' to 3' DNA helicase, pivotal in the repair of DNA double-strand breaks through homologous recombination, particularly in association with BRCA1.

Therapeutic significance:

This protein's involvement in breast cancer and Fanconi anemia complementation group J underscores its therapeutic significance. Its role in DNA repair mechanisms and chromosomal stability presents a promising target for developing treatments for these conditions, highlighting the potential for novel therapeutic strategies aimed at modulating its activity.