Focused On-demand Library for 26S proteasome non-ATPase regulatory subunit 12

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 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.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

O00232

UPID:

PSD12_HUMAN

Alternative names:

26S proteasome regulatory subunit RPN5; 26S proteasome regulatory subunit p55

Alternative UPACC:

O00232; A6NP15; Q53HA2; Q6P053

Background:

The 26S proteasome non-ATPase regulatory subunit 12, also known as RPN5 or p55, is a pivotal component of the 26S proteasome complex. This complex is crucial for the ATP-dependent degradation of ubiquitinated proteins, playing a significant role in maintaining protein homeostasis by eliminating misfolded or damaged proteins and regulating protein levels for proper cellular function.

Therapeutic significance:

Given its essential role in protein degradation and cellular regulation, the 26S proteasome non-ATPase regulatory subunit 12 is linked to Stankiewicz-Isidor syndrome, a neurodevelopmental disorder. Understanding the role of this protein could open doors to potential therapeutic strategies for treating this syndrome and possibly other related disorders.