Focused On-demand Library for 26S proteasome non-ATPase regulatory subunit 14

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 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 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

O00487

UPID:

PSDE_HUMAN

Alternative names:

26S proteasome regulatory subunit RPN11; 26S proteasome-associated PAD1 homolog 1

Alternative UPACC:

O00487; B3KNW2; O00176

Background:

The 26S proteasome non-ATPase regulatory subunit 14, also known as PSMD14, plays a crucial role in cellular protein homeostasis. It is a component of the 26S proteasome, a complex essential for the ATP-dependent degradation of ubiquitinated proteins. PSMD14's function in cleaving 'Lys-63'-linked polyubiquitin chains is vital for processes such as cell cycle progression, apoptosis, and DNA damage repair.

Therapeutic significance:

Understanding the role of 26S proteasome non-ATPase regulatory subunit 14 could open doors to potential therapeutic strategies.