Focused On-demand Library for Prostate-specific antigen

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We use our state-of-the-art dedicated workflow for designing focused 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

P07288

UPID:

KLK3_HUMAN

Alternative names:

Gamma-seminoprotein; Kallikrein-3; P-30 antigen; Semenogelase

Alternative UPACC:

P07288; C9JXH3; G3V0H4; G3XAE3; Q15096; Q16272; Q86TG8; Q8IXI4

Background:

Prostate-specific antigen (PSA), also known as Kallikrein-3, plays a crucial role in male reproductive biology. It is responsible for hydrolyzing semenogelin-1, leading to the liquefaction of the seminal coagulum. This process is vital for sperm motility and fertility. PSA is also recognized by its alternative names, including Gamma-seminoprotein, P-30 antigen, and Semenogelase, highlighting its multifaceted role in seminal fluid dynamics.

Therapeutic significance:

Understanding the role of Prostate-specific antigen could open doors to potential therapeutic strategies. Its unique function in semen liquefaction and implications in male fertility underscore its importance in reproductive health research. While its direct involvement in diseases is not specified, the exploration of PSA's biological functions could illuminate novel pathways for therapeutic intervention.