AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Integrin alpha-7

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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 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

Q13683

UPID:

ITA7_HUMAN

Alternative names:

-

Alternative UPACC:

Q13683; B4E3U0; C9JMD3; C9JMZ6; O43197; Q86W93; Q9NY89; Q9UET0; Q9UEV2

Background:

Integrin alpha-7, a crucial laminin receptor on skeletal myoblasts and adult myofibers, plays a pivotal role in myogenic differentiation, facilitating myoblast localization at laminin-rich sites and maintaining myofiber cytoarchitecture. It also acts as a receptor for COMP, influencing vascular smooth muscle cells maturation, and is essential for contractile phenotype in airway smooth muscle cells.

Therapeutic significance:

Given its involvement in congenital muscular dystrophy due to integrin alpha-7 deficiency, understanding the role of Integrin alpha-7 could open doors to potential therapeutic strategies, offering hope for patients suffering from this debilitating condition.

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