Focused On-demand Library for Receptor-interacting serine/threonine-protein kinase 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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q13546

UPID:

RIPK1_HUMAN

Alternative names:

Cell death protein RIP; Receptor-interacting protein 1

Alternative UPACC:

Q13546; A0AV89; B2RAG1; B4E3F9; Q13180; Q59H33

Background:

Receptor-interacting serine/threonine-protein kinase 1 (RIPK1) plays a pivotal role in controlling cell fate through apoptosis and necroptosis, alongside regulating inflammatory responses. It acts as both a kinase, influencing cell death, and a scaffold, modulating survival signals via the NF-kappa-B pathway. Its activity is crucial in preventing aberrant cell death and inflammation, making it a key player in cellular homeostasis.

Therapeutic significance:

RIPK1's involvement in Immunodeficiency 57 with autoinflammation and Autoinflammation with episodic fever and lymphadenopathy highlights its potential as a therapeutic target. By modulating RIPK1 activity, it may be possible to alleviate symptoms of these diseases, offering hope for patients suffering from these debilitating conditions.