Focused On-demand Library for Partner and localizer of BRCA2

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.

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our high-tech, dedicated method is applied to construct targeted libraries for protein-protein interfaces.

Fig. 1. The sreening workflow of Receptor.AI

This process entails comprehensive molecular simulations of the target protein, individually and in complex with essential partner proteins, along with ensemble virtual screening that focuses on conformational mobility in both its free and complex states. Potential binding pockets are considered at the protein-protein interaction interface and in remote allosteric locations to address every conceivable mechanism of action.

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

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.