Focused On-demand Library for Tonsoku-like protein

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q96HA7

UPID:

TONSL_HUMAN

Alternative names:

Inhibitor of kappa B-related protein; NF-kappa-B inhibitor-like protein 2; Nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor-like 2

Alternative UPACC:

Q96HA7; B5MDP0; C9JKB1; C9JNV8; Q13006; Q9UGJ2

Background:

The Tonsoku-like protein, also known as Inhibitor of kappa B-related protein, plays a crucial role in DNA repair. It is a component of the MMS22L-TONSL complex, essential for homologous recombination-mediated repair of double-strand breaks at stalled or collapsed replication forks. This complex maintains genome integrity during DNA replication and mediates the assembly of RAD51 filaments on single-stranded DNA, crucial for the repair process.

Therapeutic significance:

Given its pivotal role in DNA repair and maintaining genome integrity, the Tonsoku-like protein is linked to Spondyloepimetaphyseal dysplasia, sponastrime type, a bone disease with variable severity. Understanding the role of Tonsoku-like protein could open doors to potential therapeutic strategies for this and related genetic disorders.