Focused On-demand Library for Nibrin

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.

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

Fig. 1. The sreening workflow of Receptor.AI

The approach involves in-depth molecular simulations of the target protein by itself and in complex with its primary partner proteins, paired with ensemble virtual screening that factors in conformational mobility in both the unbound and complex states. The tentative binding pockets are identified at the protein-protein interaction interface and in distant allosteric areas, aiming to capture the full range of 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

O60934

UPID:

NBN_HUMAN

Alternative names:

Cell cycle regulatory protein p95; Nijmegen breakage syndrome protein 1

Alternative UPACC:

O60934; B2R626; B2RNC5; O60672; Q32NF7; Q53FM6; Q63HR6; Q7LDM2

Background:

Nibrin, also known as Nijmegen breakage syndrome protein 1, is a crucial component of the MRN complex, playing a pivotal role in DNA damage response and chromosome integrity maintenance. It is involved in double-strand break repair, DNA recombination, telomere integrity, cell cycle checkpoint control, and meiosis. Nibrin's ability to recruit PI3/PI4-kinase family members to DNA damage sites is essential for activating their functions.

Therapeutic significance:

Nibrin's involvement in diseases such as Nijmegen breakage syndrome, breast cancer, and aplastic anemia highlights its potential as a target for therapeutic intervention. Understanding the role of Nibrin could open doors to novel strategies for treating these conditions, emphasizing the importance of research in this area.