Focused On-demand Library for Tumor necrosis factor receptor superfamily member 1A

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for receptors.

Fig. 1. The sreening workflow of Receptor.AI

This process includes extensive molecular simulations of the receptor in its native membrane environment, along with ensemble virtual screening that accounts for its conformational mobility. In the case of dimeric or oligomeric receptors, the entire functional complex is modelled, identifying potential binding pockets on and between the subunits to encompass all possible mechanisms of action.

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

P19438

UPID:

TNR1A_HUMAN

Alternative names:

Tumor necrosis factor receptor 1; Tumor necrosis factor receptor type I; p55; p60

Alternative UPACC:

P19438; A8K4X3; B2RDE4; B3KPQ1; B4DQB7; B4E309; B5M0B5; D3DUR1; Q9UCA4

Background:

Tumor necrosis factor receptor superfamily member 1A (TNFRSF1A), also known as p55 or p60, plays a pivotal role in immune and inflammatory responses. It acts as a receptor for TNF-alpha, initiating apoptosis and contributing to anti-viral states through the activation of caspase-8 and acid sphingomyelinase.

Therapeutic significance:

TNFRSF1A's involvement in Periodic fever, familial, autosomal dominant, and its association with Multiple sclerosis 5, highlights its potential as a therapeutic target. Understanding its role could lead to novel treatments for these inflammatory and autoimmune conditions.