AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Homeobox protein Meis1

Available from Reaxense
Predicted by Alphafold

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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.

 Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

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

O00470

UPID:

MEIS1_HUMAN

Alternative names:

-

Alternative UPACC:

O00470; A8MV50

Background:

Homeobox protein Meis1, encoded by the gene with accession number O00470, plays a pivotal role in transcriptional regulation, particularly of PAX6 and PF4, in partnership with PBX1 or PBX2. It is essential for hematopoiesis, megakaryocyte lineage development, and vascular patterning, and acts as a cofactor for HOXA7 and HOXA9 in myeloid leukemias induction.

Therapeutic significance:

Homeobox protein Meis1's involvement in Restless legs syndrome 7, a neurologic disorder characterized by an irresistible urge to move the legs, highlights its potential as a target for therapeutic intervention. Understanding the role of Homeobox protein Meis1 could open doors to potential therapeutic strategies.

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