Focused On-demand Library for Integrin alpha-5

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse 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

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.