AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Unconventional myosin-XVIIIb

Available from Reaxense
Predicted by Alphafold

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.

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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide 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

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.

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