Focused On-demand Library for BRCA1-A complex subunit RAP80

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

We employ our advanced, specialised process to create targeted 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 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

Q96RL1

UPID:

UIMC1_HUMAN

Alternative names:

Receptor-associated protein 80; Retinoid X receptor-interacting protein 110; Ubiquitin interaction motif-containing protein 1

Alternative UPACC:

Q96RL1; A8MSA1; B3KMZ1; B4E3N2; Q5XKQ1; Q7Z3W7; Q8N5B9; Q9BZR1; Q9BZR5; Q9UHX7

Background:

The BRCA1-A complex subunit RAP80, also known as Receptor-associated protein 80, plays a pivotal role in DNA damage response. It specifically recognizes and binds 'Lys-63'-linked ubiquitin, targeting the BRCA1-BARD1 heterodimer to DNA damage sites at double-strand breaks. This action is crucial for the repair of damaged DNA, ensuring genomic stability.

Therapeutic significance:

Understanding the role of BRCA1-A complex subunit RAP80 could open doors to potential therapeutic strategies. Its involvement in DNA repair mechanisms highlights its potential as a target for developing treatments for genetic disorders and enhancing cancer therapy efficacy.