AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Caytaxin

Available from Reaxense
Predicted by Alphafold

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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We use our state-of-the-art dedicated workflow for designing focused 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 distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q86WG3

UPID:

ATCAY_HUMAN

Alternative names:

Ataxia cayman type protein; BNIP-2-homology

Alternative UPACC:

Q86WG3; Q8NAQ2; Q8TAQ3; Q96HC6; Q96JF5

Background:

Caytaxin, also known as Ataxia Cayman type protein, plays a crucial role in the development of neural tissues, especially in the postnatal maturation of the cerebellar cortex. It is implicated in neurotransmission regulation through its potential influence on glutaminase/GLS, an enzyme vital for glutamate neurotransmitter production in neurons. Additionally, Caytaxin may affect the positioning of mitochondria within axons and dendrites.

Therapeutic significance:

Caytaxin's mutation is directly linked to Cerebellar ataxia, Cayman type, characterized by psychomotor retardation and cerebellar dysfunction. Understanding the role of Caytaxin could open doors to potential therapeutic strategies for this condition.

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