AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for RING finger protein 145

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q96MT1

UPID:

RN145_HUMAN

Alternative names:

-

Alternative UPACC:

Q96MT1; B7Z903; B7Z949; E7EVI7; Q8IVP7

Background:

RING finger protein 145, identified by the accession number Q96MT1, plays a pivotal role in cellular processes through its E3 ubiquitin ligase activity. It orchestrates the direct transfer of ubiquitin to specific substrates, crucial for regulating the phagocyte oxidative burst in bacterial infections and maintaining cholesterol homeostasis. By modulating the turnover of NADPH oxidase complex subunits and targeting key enzymes in cholesterol biosynthesis for degradation, this protein ensures cellular defense mechanisms and lipid regulation are finely tuned.

Therapeutic significance:

Understanding the role of RING finger protein 145 could open doors to potential therapeutic strategies. Its involvement in controlling oxidative stress responses and cholesterol levels highlights its potential as a target for treating conditions related to immune system dysregulation and metabolic disorders.

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