Focused On-demand Library for Integrin alpha-6

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 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 top-notch dedicated system is used to design specialised libraries for protein-protein interfaces.

Fig. 1. The sreening workflow of Receptor.AI

The method includes extensive molecular simulations of the target protein alone and in complex with its most relevant partner proteins, followed by ensemble virtual screening that considers conformational mobility in both free and complex states. Potential binding pockets are examined on the protein-protein interaction interface and in distant allosteric sites to cover all possible mechanisms of action.

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

P23229

UPID:

ITA6_HUMAN

Alternative names:

CD49 antigen-like family member F; VLA-6

Alternative UPACC:

P23229; B2RMU9; B4DG69; B4DKB8; C4AM96; G5E9H1; Q08443; Q0MRC7; Q14646; Q16508; Q53RX7; Q59HB7; Q86VL6; Q9UCT1; Q9UN03

Background:

Integrin alpha-6, also known as CD49 antigen-like family member F or VLA-6, plays a pivotal role in cellular functions by acting as a receptor for laminin in various cell types. It is involved in critical processes such as sperm-egg fusion in oocytes and structural integrity in epithelial cells through its presence in hemidesmosomes. Its interaction with proteins like NRG1, IGF1, and IGF2 is essential for signaling pathways that influence cell behavior.

Therapeutic significance:

The association of Integrin alpha-6 with Epidermolysis bullosa, junctional 6, with pyloric atresia, underscores its therapeutic significance. This severe genodermatosis, characterized by skin fragility and blistering, highlights the critical role of Integrin alpha-6 in skin integrity and development. Understanding the mechanisms by which Integrin alpha-6 functions could lead to novel therapeutic strategies for managing this debilitating condition.