Focused On-demand Library for DNA damage-binding protein 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

We use our state-of-the-art dedicated workflow for designing focused 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 is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q16531

UPID:

DDB1_HUMAN

Alternative names:

DDB p127 subunit; DNA damage-binding protein a; Damage-specific DNA-binding protein 1; HBV X-associated protein 1; UV-damaged DNA-binding factor; UV-damaged DNA-binding protein 1; XPE-binding factor; Xeroderma pigmentosum group E-complementing protein

Alternative UPACC:

Q16531; A6NG77; B2R648; B4DG00; O15176; Q13289; Q58F96

Background:

DNA damage-binding protein 1, known by names such as DDB p127 subunit and Xeroderma pigmentosum group E-complementing protein, plays a crucial role in DNA repair and protein ubiquitination. It is a core component of the UV-DDB complex, recognizing UV-induced DNA damage and initiating repair. Additionally, it functions in various DCX E3 ubiquitin-protein ligase complexes, mediating ubiquitination and degradation of target proteins, crucial for maintaining genomic stability.

Therapeutic significance:

Linked to White-Kernohan syndrome, a disorder marked by developmental delays and facial features, understanding DNA damage-binding protein 1's role could open doors to potential therapeutic strategies. Its involvement in DNA repair pathways and protein ubiquitination presents it as a target for developing treatments for related genetic disorders.