Focused On-demand Library for Myosin light chain 3

Focused On-demand Libraries - Reaxense 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 our associate Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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 sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

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:

Myosin light chain 3, also known as cardiac myosin light chain 1, plays a crucial role as a regulatory light chain of myosin. It is pivotal in heart muscle function, not binding calcium, and is expressed in various isoforms including ventricular and slow-twitch muscle B/ventricular isoform. This protein's intricate involvement in muscle contraction mechanics underscores its importance in cardiac physiology.

Therapeutic significance:

Cardiomyopathy, familial hypertrophic, 8, a severe hereditary heart disorder, is directly linked to mutations affecting Myosin light chain 3. Characterized by ventricular hypertrophy, this condition can lead to sudden cardiac death. Understanding the role of Myosin light chain 3 could pave the way for innovative therapeutic strategies targeting the molecular basis of heart diseases.