Focused On-demand Library for Receptor-interacting serine/threonine-protein kinase 1

Focused On-demand Libraries - Receptor.AI 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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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.


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


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
Q13546

UPID:
RIPK1_HUMAN

ALTERNATIVE NAMES:
Cell death protein RIP; Receptor-interacting protein 1

ALTERNATIVE UPACC:
Q13546; A0AV89; B2RAG1; B4E3F9; Q13180; Q59H33

BACKGROUND:
The Receptor-interacting serine/threonine-protein kinase 1, known as RIPK1, is integral to apoptosis, necroptosis, and inflammatory pathways. Its dual function as a kinase and scaffold allows it to regulate cell death and survival, highlighting its importance in maintaining cellular integrity and response to stress.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of RIPK1 could open doors to potential therapeutic strategies. Its direct association with diseases such as Immunodeficiency 57 with autoinflammation and Autoinflammation with episodic fever and lymphadenopathy underscores its therapeutic relevance, offering new avenues for drug discovery and patient care.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.


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