Focused On-demand Library for BMP-2-inducible protein kinase

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We use our state-of-the-art dedicated workflow for designing 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.

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

Reaxense

upacc

Q9NSY1

UPID:

BMP2K_HUMAN

Alternative names:

Alternative UPACC:

Q9NSY1; O94791; Q4W5H2; Q8IYF2; Q8N2G7; Q8NHG9; Q9NTG8

Background:

BMP-2-inducible protein kinase, encoded by the gene with the accession number Q9NSY1, plays a pivotal role in the cellular processes leading to osteoblast differentiation. This protein's involvement in the bone formation pathway underscores its importance in skeletal development and regeneration.

Therapeutic significance:

Understanding the role of BMP-2-inducible protein kinase could open doors to potential therapeutic strategies. Its critical function in osteoblast differentiation suggests that it may be a valuable target for developing treatments aimed at bone diseases and disorders related to impaired bone formation.