Focused On-demand Library for Myosin regulatory light polypeptide 9

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.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of 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

P24844

UPID:

MYL9_HUMAN

Alternative names:

20 kDa myosin light chain; MLC-2C; Myosin RLC; Myosin regulatory light chain 2, smooth muscle isoform; Myosin regulatory light chain 9; Myosin regulatory light chain MRLC1

Alternative UPACC:

P24844; E1P5T6; Q9BQL9; Q9BUF9; Q9H136

Background:

Myosin regulatory light polypeptide 9 (MRLC1), also known as Myosin regulatory light chain 9, plays a pivotal role in smooth muscle and nonmuscle cell contractility. It is involved in crucial cellular processes such as cytokinesis, receptor capping, and cell locomotion. MRLC1's function in myoblasts includes regulating PIEZO1-dependent cortical actomyosin assembly, essential for myotube formation.

Therapeutic significance:

MRLC1 is linked to Megacystis-microcolon-intestinal hypoperistalsis syndrome 4 (MMIHS4), a severe congenital disorder affecting smooth muscle contraction. Understanding the role of MRLC1 could open doors to potential therapeutic strategies for MMIHS4, offering hope for treatments targeting the underlying genetic causes of this debilitating condition.