Focused On-demand Library for Protein artemis

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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

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

Q96SD1

UPID:

DCR1C_HUMAN

Alternative names:

DNA cross-link repair 1C protein; Protein A-SCID; SNM1 homolog C; SNM1-like protein

Alternative UPACC:

Q96SD1; D3DRT6; Q1HCL2; Q5JSR4; Q5JSR5; Q5JSR7; Q5JSR8; Q5JSR9; Q5JSS0; Q5JSS7; Q6PK14; Q8N101; Q8N132; Q8TBW9; Q9BVW9; Q9HAM4

Background:

Protein Artemis, known as DNA cross-link repair 1C protein, plays a crucial role in DNA non-homologous end joining (NHEJ), essential for double-strand break repair and V(D)J recombination. This process is vital for the assembly of immunoglobulins and T-cell receptor proteins, highlighting Artemis's pivotal role in immune system development and function.

Therapeutic significance:

Artemis's dysfunction is linked to severe combined immunodeficiency (SCID) variants, including autosomal recessive T-cell-negative/B-cell-negative/NK-cell-positive with sensitivity to ionizing radiation, SCID Athabaskan type, and Omenn syndrome. Understanding the role of Protein Artemis could open doors to potential therapeutic strategies for these life-threatening conditions.