AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Integrin alpha-V

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

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

P06756

UPID:

ITAV_HUMAN

Alternative names:

Vitronectin receptor; Vitronectin receptor subunit alpha

Alternative UPACC:

P06756; A0AV67; B0LPF4; B7Z883; B7ZLX0; D3DPG8; E7EWZ6; Q53SK4; Q59EB7; Q6LD15

Background:

Integrin alpha-V, known as the vitronectin receptor, plays a pivotal role in cell adhesion and signaling. It binds to a variety of ligands including vitronectin, fibronectin, and laminin, recognizing the R-G-D sequence. This receptor is involved in critical cellular functions such as angiogenesis, wound healing, and immune response. It acts as a coreceptor in various signaling pathways, including those for fractalkine, NRG1, FGF1, FGF2, IGF1, IGF2, IL1B, and TGF-beta-1 activation.

Therapeutic significance:

Understanding the role of Integrin alpha-V could open doors to potential therapeutic strategies. Its involvement in multiple signaling pathways and cell adhesion processes makes it a promising target for drug discovery, particularly in treating diseases related to impaired cell adhesion, abnormal angiogenesis, and defective wound healing.

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