AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Unconventional myosin-X

Available from Reaxense
Predicted by Alphafold

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our top-notch dedicated system is used to design specialised 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

Q9HD67

UPID:

MYO10_HUMAN

Alternative names:

Unconventional myosin-10

Alternative UPACC:

Q9HD67; A7E2D1; O94893; Q8IVX5; Q9NYM7; Q9P110; Q9P111; Q9UHF6

Background:

Unconventional myosin-X, identified by the accession number Q9HD67, is an actin-based motor molecule with ATPase activity, primarily involved in intracellular movements. It binds to actin filaments and bundles, functioning as a plus end-directed motor. This protein exhibits higher velocity and larger steps on actin bundles compared to single actin filaments. Its tail domain interacts with phosphatidylinositol 3,4,5-trisphosphate or integrins-containing compartments, facilitating cargo transport along actin filaments. Unconventional myosin-X plays a crucial role in cell shape, spreading, adhesion, and the formation and elongation of filopodia. In hippocampal neurons, it is pivotal for dendritic filopodia formation and spine development by trafficking VASP protein.

Therapeutic significance:

Understanding the role of Unconventional myosin-X could open doors to potential therapeutic strategies.

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