AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Integrin alpha-5

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 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.

We employ our advanced, specialised process to create 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.

Our library distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

P08648

UPID:

ITA5_HUMAN

Alternative names:

CD49 antigen-like family member E; Fibronectin receptor subunit alpha; Integrin alpha-F; VLA-5

Alternative UPACC:

P08648; Q96HA5

Background:

Integrin alpha-5, encoded by the gene P08648, plays a pivotal role in cell adhesion and signaling. Known by various names such as CD49 antigen-like family member E and Fibronectin receptor subunit alpha, it binds to a range of ligands including fibronectin, fibrinogen, and IL1B. This interaction is crucial for mediating cell adhesion to the extracellular matrix and for signal transduction that influences cell behavior. Additionally, Integrin alpha-5 serves as a receptor for various pathogens, highlighting its role in microbial infection.

Therapeutic significance:

Understanding the role of Integrin alpha-5 could open doors to potential therapeutic strategies. Its involvement in cell adhesion and signaling pathways makes it a promising target for modulating immune responses and treating microbial infections.

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