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.
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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We use our state-of-the-art dedicated workflow for designing focused 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.
Key features that set our library apart include:
partner
Reaxense
upacc
O95271
UPID:
TNKS1_HUMAN
Alternative names:
ADP-ribosyltransferase diphtheria toxin-like 5; Poly [ADP-ribose] polymerase 5A; Protein poly-ADP-ribosyltransferase tankyrase-1; TNKS-1; TRF1-interacting ankyrin-related ADP-ribose polymerase; Tankyrase I; Tankyrase-1
Alternative UPACC:
O95271; O95272; Q4G0F2; Q59FX0
Background:
Poly [ADP-ribose] polymerase tankyrase-1, known by alternative names such as ADP-ribosyltransferase diphtheria toxin-like 5 and Tankyrase-1, plays a pivotal role in cellular processes including the Wnt signaling pathway, telomere length regulation, and vesicle trafficking. It activates the Wnt signaling pathway through PARsylation of AXIN1 and AXIN2, leading to their degradation and has a role in centrosome maturation and spindle pole assembly.
Therapeutic significance:
Understanding the role of Poly [ADP-ribose] polymerase tankyrase-1 could open doors to potential therapeutic strategies.