Focused On-demand Libraries - Receptor.AI 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.


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


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
Q9Y4I1

UPID:
MYO5A_HUMAN

ALTERNATIVE NAMES:
Dilute myosin heavy chain, non-muscle; Myosin heavy chain 12; Myosin-12; Myoxin

ALTERNATIVE UPACC:
Q9Y4I1; A8MZC5; O60653; Q07902; Q16249; Q9UE30; Q9UE31

BACKGROUND:
Unconventional myosin-Va, also referred to as Myosin heavy chain 12 or Myoxin, is integral to actin-based motility processes. It is involved in the transport of melanosomes and vesicles to the plasma membrane, playing a key role in cellular transport mechanisms and possibly in cell polarization and dendrite formation.

THERAPEUTIC SIGNIFICANCE:
Given its critical function in melanosome transport, Unconventional myosin-Va is linked to Griscelli syndrome 1, a disorder with significant pigmentary and neurological manifestations. Targeting this protein could offer novel therapeutic avenues for treating such genetic conditions.

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