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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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.
We utilise our cutting-edge, exclusive workflow to develop focused 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:
partner
Reaxense
upacc
P30046
UPID:
DOPD_HUMAN
Alternative names:
D-dopachrome tautomerase; Phenylpyruvate tautomerase II
Alternative UPACC:
P30046; B7Z522; O00774; O60787; Q13534
Background:
D-dopachrome decarboxylase, also known as D-dopachrome tautomerase or Phenylpyruvate tautomerase II, plays a crucial role in the tautomerization of D-dopachrome with decarboxylation to produce 5,6-dihydroxyindole (DHI). This enzyme is pivotal in melanin synthesis, impacting pigmentation and potentially influencing oxidative stress responses.
Therapeutic significance:
Understanding the role of D-dopachrome decarboxylase could open doors to potential therapeutic strategies. Its involvement in melanin synthesis suggests a possible link to skin pigmentation disorders and neurodegenerative diseases where oxidative stress is a key factor.