AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Serine/threonine-protein kinase pim-1

Available from Reaxense
Predicted by Alphafold

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.

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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

 Fig. 1. The sreening 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.

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

P11309

UPID:

PIM1_HUMAN

Alternative names:

-

Alternative UPACC:

P11309; Q38RT9; Q5T7H7; Q96RG3

Background:

Serine/threonine-protein kinase pim-1, encoded by the PIM1 gene, plays a pivotal role in cell survival, proliferation, and tumorigenesis. It regulates MYC transcriptional activity, cell cycle progression, and inhibits proapoptotic proteins, thereby promoting oncogenic activity. PIM1's involvement in phosphorylating and stabilizing MYC, BAD, MAP3K5, and FOXO3 underscores its critical function in cellular mechanisms. Additionally, it influences cell cycle transitions by targeting CDC25A, CDC25C, and CDKN1A, and modulates CDKN1B levels to favor tumorigenesis.

Therapeutic significance:

Understanding the role of Serine/threonine-protein kinase pim-1 could open doors to potential therapeutic strategies. Its ability to regulate key oncogenic pathways and cell survival mechanisms positions it as a promising target for cancer therapy. Inhibiting PIM1 activity could disrupt cancer cell proliferation and survival, offering a novel approach to cancer treatment.

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