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.
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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P01374
UPID:
TNFB_HUMAN
Alternative names:
TNF-beta; Tumor necrosis factor ligand superfamily member 1
Alternative UPACC:
P01374; Q8N4C3; Q9UKS8
Background:
Lymphotoxin-alpha, also known as TNF-beta, is a pivotal cytokine in the tumor necrosis factor ligand superfamily. It exhibits a broad spectrum of biological activities, including the modulation of immune responses and inflammation. This protein can form both homotrimers and heterotrimers, engaging with various TNF receptors to initiate distinct cellular pathways.
Therapeutic significance:
Given its involvement in psoriatic arthritis, a complex autoimmune condition characterized by inflammation and joint damage, Lymphotoxin-alpha represents a critical target for therapeutic intervention. Understanding its role could pave the way for novel treatments aimed at mitigating the disease's progression and improving patient outcomes.