AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Hyccin

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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.

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 employ our advanced, specialised process to create targeted libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

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

Q9BYI3

UPID:

HYCCI_HUMAN

Alternative names:

Down-regulated by CTNNB1 protein A

Alternative UPACC:

Q9BYI3; A0A024RA06; A4D145; B8ZZJ1; Q6N010; Q75MR4; Q7LDZ4; Q96MX1; Q96NQ6

Background:

Hyccin, also known as Down-regulated by CTNNB1 protein A, plays a crucial role in the formation of oligodendrocytes, cells essential for myelination in the central and peripheral nervous system. It is part of a complex that localizes phosphatidylinositol 4-kinase to the plasma membrane, regulating phosphatidylinositol 4-phosphate synthesis, vital for oligodendrocytes' expanded plasma membrane.

Therapeutic significance:

Hyccin's significance is underscored in its association with Leukodystrophy, hypomyelinating, 5 (HLD5), a condition marked by congenital cataract, progressive neurologic impairment, and diffuse myelin deficiency. Understanding Hyccin's role could pave the way for innovative treatments for HLD5, highlighting the protein's therapeutic potential.

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