Focused On-demand Library for Integrin beta-1-binding protein 1

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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

We employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse 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

O14713

UPID:

ITBP1_HUMAN

Alternative names:

Integrin cytoplasmic domain-associated protein 1

Alternative UPACC:

O14713; D6W4Y9; O14714; Q53RS0

Background:

Integrin beta-1-binding protein 1, also known as Integrin cytoplasmic domain-associated protein 1, plays a pivotal role in cell-matrix interaction signaling. It regulates integrin-mediated cell adhesion, proliferation, differentiation, and migration, crucial for bone development, angiogenesis, and wound healing. This protein modulates the dynamics of focal adhesion sites, acts as a guanine nucleotide dissociation inhibitor, and influences Rho family GTPases activity.

Therapeutic significance:

Understanding the role of Integrin beta-1-binding protein 1 could open doors to potential therapeutic strategies. Its involvement in cell adhesion and migration processes makes it a promising target for developing treatments for bone disorders, promoting wound healing, and inhibiting tumor metastasis.