Focused On-demand Library for Tumor necrosis factor alpha-induced protein 3

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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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 stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P21580

UPID:

TNAP3_HUMAN

Alternative names:

OTU domain-containing protein 7C; Putative DNA-binding protein A20; Zinc finger protein A20

Alternative UPACC:

P21580; B2R767; E1P588; Q2HIX9; Q5VXQ7; Q9NSR6

Background:

Tumor necrosis factor alpha-induced protein 3, also known as A20, plays a pivotal role in regulating inflammatory responses and immune system functions. It exhibits both ubiquitin ligase and deubiquitinase activities, crucial for terminating NF-kappa-B activity and ensuring the transient nature of inflammatory signaling pathways. A20's ability to modulate ubiquitination processes across various signaling pathways underscores its importance in cellular homeostasis and defense mechanisms.

Therapeutic significance:

A20's involvement in Autoinflammatory syndrome, familial, Behcet-like 1, highlights its potential as a therapeutic target. Understanding A20's regulatory mechanisms offers promising avenues for developing treatments for autoinflammatory disorders, emphasizing the need for innovative drug discovery efforts to harness its therapeutic potential.