AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Myosin regulatory light chain 11

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 top-notch dedicated system is used to design specialised 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

Q96A32

UPID:

MYL11_HUMAN

Alternative names:

Fast skeletal myosin light chain 2; MLC2B; Myosin light chain 11; Myosin regulatory light chain 2, skeletal muscle isoform

Alternative UPACC:

Q96A32; A0A024QZG6; B2RA83; Q14843; Q6IB41

Background:

Myosin regulatory light chain 11, also known as Fast skeletal myosin light chain 2, MLC2B, and Myosin light chain 11, is pivotal in maintaining muscle integrity during early development. It plays a crucial role in muscle contraction, highlighting its significance in skeletal muscle function.

Therapeutic significance:

Linked to Arthrogryposis, distal, 1C, a condition marked by congenital joint contractures, Myosin regulatory light chain 11's genetic variants underscore its clinical relevance. Understanding its role could unveil novel therapeutic strategies for muscle-related diseases.

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