Focused On-demand Library for Myosin-11

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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 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

P35749

UPID:

MYH11_HUMAN

Alternative names:

Myosin heavy chain 11; Myosin heavy chain, smooth muscle isoform; SMMHC

Alternative UPACC:

P35749; D2JYH7; O00396; O94944; P78422; Q3MIV8; Q3MNF0; Q3MNF1

Background:

Myosin-11, also known as Myosin heavy chain 11, plays a pivotal role in muscle contraction. This protein, identified by the accession number P35749, is crucial in the smooth muscle isoform, contributing to various physiological processes.

Therapeutic significance:

Myosin-11 is implicated in diseases such as Aortic aneurysm, familial thoracic 4, Megacystis-microcolon-intestinal hypoperistalsis syndrome 2, and Visceral myopathy 2. These conditions highlight the protein's significance in vascular and gastrointestinal health, underscoring the potential for targeted therapeutic strategies.