Focused On-demand Library for Partner and localizer of BRCA2

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.

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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

Fig. 1. The sreening workflow of Receptor.AI

It includes extensive molecular simulations of the target alone and in complex with its most relevant partner proteins, followed by ensemble virtual screening that accounts for conformational mobility in free and bound forms. The tentative binding pockets are considered on the protein-protein interface itself and in remote allosteric locations in order to cover the whole spectrum of possible mechanisms of action.

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

Q86YC2

UPID:

PALB2_HUMAN

Alternative names:

Alternative UPACC:

Q86YC2; A6NIE1; Q8N7Y6; Q8ND31; Q9H6W1

Background:

The Partner and localizer of BRCA2 plays a pivotal role in DNA repair, specifically in homologous recombination repair (HRR). It facilitates the recruitment of BRCA2 and RAD51 to DNA breaks, enhancing DNA repair efficiency. Its interaction with RAD51 is crucial for stabilizing the nucleoprotein filament and promoting D-loop formation, essential steps in the DNA repair process.

Therapeutic significance:

Given its critical function in DNA repair and association with diseases such as Breast cancer, Fanconi anemia complementation group N, and Pancreatic cancer 3, targeting the Partner and localizer of BRCA2 offers a promising avenue for therapeutic intervention. Enhancing its activity could improve DNA repair mechanisms, potentially reducing the risk or severity of these conditions.