Focused On-demand Library for Myosin light chain 3

Focused On-demand Libraries - Receptor.AI 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.


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 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.


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


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
Receptor.AI
 
UPACC
P08590

UPID:
MYL3_HUMAN

ALTERNATIVE NAMES:
Cardiac myosin light chain 1; Myosin light chain 1, slow-twitch muscle B/ventricular isoform; Ventricular myosin alkali light chain; Ventricular myosin light chain 1; Ventricular/slow twitch myosin alkali light chain

ALTERNATIVE UPACC:
P08590; B2R534; Q9NRS8

BACKGROUND:
The protein Myosin light chain 3, with alternative names such as Ventricular myosin light chain 1, is integral to the cardiac muscle's contractile system. It functions as a regulatory light chain of myosin, essential for heart muscle contraction and overall cardiovascular health. The diversity of its isoforms, including the ventricular/slow twitch myosin alkali light chain, highlights its versatile role in heart function.

THERAPEUTIC SIGNIFICANCE:
Mutations in Myosin light chain 3 are implicated in Cardiomyopathy, familial hypertrophic, 8, manifesting as asymmetric ventricular hypertrophy and posing a high risk of cardiac failure. The exploration of Myosin light chain 3's function offers a promising avenue for developing targeted treatments for this life-threatening condition.

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