AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Visual system homeobox 2

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.

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 employ our advanced, specialised process to create targeted libraries.

 Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

P58304

UPID:

VSX2_HUMAN

Alternative names:

Ceh-10 homeodomain-containing homolog; Homeobox protein CHX10

Alternative UPACC:

P58304; A1A4X6

Background:

Visual system homeobox 2 (VSX2), also known as Homeobox protein CHX10, plays a pivotal role in eye development and function. It acts as a transcriptional regulator, binding to DNA to influence gene expression. VSX2 is crucial for the morphogenesis of the sensory retina, differentiation of V2a interneurons, and the development of retinal ganglion cells, which are essential for vision.

Therapeutic significance:

VSX2 is implicated in several eye formation disorders, including Microphthalmia, isolated, 2, Microphthalmia with cataracts and iris abnormalities, and Microphthalmia, isolated, with coloboma, 3. These conditions range from minor eye size anomalies to complete absence of ocular tissues. Understanding the role of VSX2 could open doors to potential therapeutic strategies for these visual impairments.

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