Focused On-demand Library for Semaphorin-7A

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 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 top-notch dedicated system is used to design specialised libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of 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

O75326

UPID:

SEM7A_HUMAN

Alternative names:

CDw108; JMH blood group antigen; John-Milton-Hargen human blood group Ag; Semaphorin-K1; Semaphorin-L

Alternative UPACC:

O75326; B4DDP7; F5H1S0; Q1XE81; Q1XE82; Q1XE83; Q1XE84; Q3MIY5

Background:

Semaphorin-7A, known by alternative names such as CDw108 and Semaphorin-K1, plays a pivotal role in integrin-mediated signaling. It is crucial for cell migration, immune responses, and axon growth in the embryonic olfactory bulb. This protein promotes the formation of focal adhesion complexes and the activation of protein kinase PTK2/FAK1, leading to the phosphorylation of MAPK1 and MAPK3.

Therapeutic significance:

Semaphorin-7A's involvement in progressive familial intrahepatic cholestasis, type 11, underscores its potential as a therapeutic target. Understanding its role could pave the way for innovative treatments for this liver disease, highlighting the importance of research in this area.