Focused On-demand Libraries - Receptor.AI 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.


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 Reaxense.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


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


 

Fig. 1. The screening 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.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
P26010

UPID:
ITB7_HUMAN

ALTERNATIVE NAMES:
Gut homing receptor beta subunit

ALTERNATIVE UPACC:
P26010; Q9UCP7; Q9UCS7

BACKGROUND:
The protein Integrin beta-7, identified for its pivotal function in mediating lymphocyte adhesion and migration to the gastrointestinal tract, interacts with several key molecules such as MADCAM1 and fibronectin. This interaction is vital for the immune system's ability to respond to gastrointestinal pathogens and maintain gut health.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Integrin beta-7 offers promising avenues for therapeutic intervention. Given its critical role in immune cell trafficking to the gut, targeting Integrin beta-7 could lead to innovative treatments for autoimmune diseases and enhance our understanding of immune system regulation.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.