Focused On-demand Library for L-dopachrome tautomerase

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.

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.

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 stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P40126

UPID:

TYRP2_HUMAN

Alternative names:

L-dopachrome Delta-isomerase; Tyrosinase-related protein 2

Alternative UPACC:

P40126; Q09GT4

Background:

L-dopachrome tautomerase, also known as Tyrosinase-related protein 2, plays a crucial role in melanin biosynthesis by catalyzing the conversion of L-dopachrome into 5,6-dihydroxyindole-2-carboxylic acid (DHICA). This enzyme's activity is pivotal for the pigmentation of skin, hair, and eyes.

Therapeutic significance:

The enzyme's association with Albinism, oculocutaneous, 8, a disorder characterized by reduced melanin biosynthesis leading to hypopigmentation and visual impairments, underscores its therapeutic potential. Targeting L-dopachrome tautomerase could offer novel treatment avenues for pigmentation disorders.