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

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.


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
Receptor.AI
 
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:
The protein E3 ubiquitin-protein ligase ZSWIM2, known under various names such as MEKK1-related protein X and RING-type E3 ubiquitin transferase ZSWIM2, is crucial in apoptosis regulation via Fas-, DR3-, and DR4-mediated pathways. This protein collaborates with E2 ubiquitin-conjugating enzymes like UBE2D1, UBE2D3, and UBE2E1, underscoring its essential role in the apoptotic processes.

THERAPEUTIC SIGNIFICANCE:
The exploration of E3 ubiquitin-protein ligase ZSWIM2's function offers a promising avenue for developing new therapeutic approaches. Given its key role in controlling apoptosis, targeting ZSWIM2 could provide novel treatments for conditions characterized by abnormal apoptosis.

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