AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Myosin-IIIa

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q8NEV4

UPID:

MYO3A_HUMAN

Alternative names:

-

Alternative UPACC:

Q8NEV4; Q4G0X2; Q5VZ28; Q8WX17; Q9NYS8

Background:

Myosin-IIIa, encoded by the gene with accession number Q8NEV4, is a probable actin-based motor protein that exhibits protein kinase activity. It is crucial for normal cochlear hair bundle development and hearing, playing a significant role in the early steps of cochlear hair bundle morphogenesis. Myosin-IIIa influences the number and lengths of stereocilia and limits the growth of microvilli within the forming auditory hair bundles, contributing to the hair bundle's architecture, including its staircase pattern.

Therapeutic significance:

Myosin-IIIa's involvement in Deafness, autosomal recessive, 30, characterized by bilateral progressive hearing loss, underscores its therapeutic significance. Understanding the role of Myosin-IIIa could open doors to potential therapeutic strategies for hearing loss conditions.

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