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.


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 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.


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


 

Fig. 1. The screening 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.


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
P10916

UPID:
MLRV_HUMAN

ALTERNATIVE NAMES:
Cardiac myosin light chain 2; Myosin light chain 2, slow skeletal/ventricular muscle isoform; Ventricular myosin light chain 2

ALTERNATIVE UPACC:
P10916; Q16123

BACKGROUND:
The protein Myosin regulatory light chain 2, specifically in its ventricular/cardiac muscle isoform, is a contractile protein critical for heart muscle function and development. It modulates myosin lever arm stiffness and myosin head diffusion, crucial for effective heart contractions. This protein's role in cardiogenesis and cardiac contractility underscores its fundamental importance in cardiovascular health.

THERAPEUTIC SIGNIFICANCE:
Given its association with severe cardiac conditions like familial hypertrophic cardiomyopathy and myofibrillar myopathy, the study of Myosin regulatory light chain 2 opens doors to potential therapeutic strategies. Targeting the genetic variants affecting this protein could revolutionize the treatment of heart diseases, providing a foundation for precision medicine in cardiology.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.