Focused On-demand Library for Serpin B7

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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

O75635

UPID:

SPB7_HUMAN

Alternative names:

Megsin; TP55

Alternative UPACC:

O75635; B4DUW8; F5GZC0; Q1ED45; Q3KPG4

Background:

Serpin B7, also known as Megsin and TP55, plays a crucial role in the human body's biological processes. It is speculated to function as an inhibitor of Lys-specific proteases and may have a significant impact on the maturation of megakaryocytes through its serpin activity. This protein's involvement in such critical cellular functions underscores its importance in maintaining physiological balance.

Therapeutic significance:

The association of Serpin B7 with Keratoderma, palmoplantar, Nagashima type, a condition characterized by diffuse palmoplantar keratosis, highlights its potential as a target for therapeutic intervention. Understanding the role of Serpin B7 could open doors to potential therapeutic strategies, offering hope for individuals affected by this genetic disorder.