Focused On-demand Library for Myosin light chain 1/3, skeletal muscle isoform

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.

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

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 is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P05976

UPID:

MYL1_HUMAN

Alternative names:

Myosin light chain alkali 1/2

Alternative UPACC:

P05976; B2R4N6; B2R4T6; P06741; Q6IBD5

Background:

Myosin light chain 1/3, also known as Myosin light chain alkali 1/2, plays a pivotal role in skeletal muscle function. It is essential for the proper formation and maintenance of myofibers, contributing to muscle strength and coordination. This protein's significance is underscored by its involvement in muscle contraction mechanisms, facilitating the interaction between myosin and actin filaments.

Therapeutic significance:

Linked to Congenital myopathy 14, a severe muscle disorder characterized by muscle weakness, respiratory failure, and delayed motor development, Myosin light chain 1/3's study is crucial. Understanding its function and the impact of genetic variants can lead to targeted therapies, offering hope for patients suffering from this debilitating condition.