Focused On-demand Library for Homeobox protein SIX3

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

Our top-notch dedicated system is used to design specialised 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

O95343

UPID:

SIX3_HUMAN

Alternative names:

Sine oculis homeobox homolog 3

Alternative UPACC:

O95343; D6W5A5; Q53T42

Background:

Homeobox protein SIX3, also known as Sine oculis homeobox homolog 3, plays a pivotal role in brain and eye development. It acts as a transcriptional regulator, influencing the expression of genes critical for the formation of the forebrain, lens, and retina. SIX3 represses WNT1 to ensure proper brain patterning and activates SHH for ventral midline development. It also promotes ependymal cell maturation and neural progenitor cell differentiation through the regulation of CCND1 and CCND2.

Therapeutic significance:

SIX3's involvement in Holoprosencephaly 2 and Schizencephaly, conditions marked by brain structural anomalies, underscores its therapeutic potential. Understanding the role of Homeobox protein SIX3 could open doors to potential therapeutic strategies for these and related neurodevelopmental disorders.