Focused On-demand Library for E3 ubiquitin-protein ligase ZSWIM2

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.

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.

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 utilise our cutting-edge, exclusive workflow to develop 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.

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

Q8NEG5

UPID:

ZSWM2_HUMAN

Alternative names:

MEKK1-related protein X; RING-type E3 ubiquitin transferase ZSWIM2; ZZ-type zinc finger-containing protein 2; Zinc finger SWIM domain-containing protein 2

Alternative UPACC:

Q8NEG5; B3KXV6; Q53SI3; Q57ZY3

Background:

E3 ubiquitin-protein ligase ZSWIM2, also known as MEKK1-related protein X, RING-type E3 ubiquitin transferase ZSWIM2, ZZ-type zinc finger-containing protein 2, and Zinc finger SWIM domain-containing protein 2, plays a pivotal role in the regulation of apoptosis through Fas-, DR3-, and DR4-mediated pathways. It operates in harmony with E2 ubiquitin-conjugating enzymes UBE2D1, UBE2D3, and UBE2E1, showcasing its integral function in cellular homeostasis.

Therapeutic significance:

Understanding the role of E3 ubiquitin-protein ligase ZSWIM2 could open doors to potential therapeutic strategies. Its involvement in apoptosis regulation highlights its potential as a target for therapeutic intervention in diseases where apoptosis is dysregulated.