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.
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
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
P17643
UPID:
TYRP1_HUMAN
Alternative names:
Catalase B; Glycoprotein 75; Melanoma antigen gp75; Tyrosinase-related protein 1
Alternative UPACC:
P17643; P78468; P78469; Q13721; Q15679
Background:
5,6-dihydroxyindole-2-carboxylic acid oxidase, known by alternative names such as Catalase B, Glycoprotein 75, Melanoma antigen gp75, and Tyrosinase-related protein 1, plays a pivotal role in melanin biosynthesis. It catalyzes the oxidation of DHICA into indole-5,6-quinone-2-carboxylic acid, crucial for pigment formation in skin, hair, and eyes. This protein's activity is copper-dependent, distinguishing it from similar enzymes requiring zinc.
Therapeutic significance:
Its association with Albinism, oculocutaneous, 3, a disorder marked by reduced melanin production, underscores its therapeutic potential. Understanding the role of 5,6-dihydroxyindole-2-carboxylic acid oxidase could open doors to potential therapeutic strategies for pigmentary disorders.