Focused On-demand Library for Unconventional myosin-XVIIIb

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our top-notch dedicated system is used to design specialised libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds 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

Q8IUG5

UPID:

MY18B_HUMAN

Alternative names:

Alternative UPACC:

Q8IUG5; A0A075B6F5; B2RWP3; F5GXR6; F5GYU7; Q8NDI8; Q8TE65; Q8WWS0; Q96KH2; Q96KR8; Q96KR9

Background:

Unconventional myosin-XVIIIb plays a pivotal role in intracellular trafficking within muscle cells and regulates muscle-specific genes. Its presence in the nucleus and cytoplasm suggests a dynamic function in muscle cell biology and tumor suppression, particularly in lung cancer where its expression inhibits uncontrolled cell growth.

Therapeutic significance:

Linked to Klippel-Feil syndrome 4, characterized by skeletal abnormalities and myopathy, Unconventional myosin-XVIIIb's genetic variants highlight its clinical importance. Understanding its role could open doors to potential therapeutic strategies for skeletal disorders and cancer.