Focused On-demand Library for Homeobox protein SIX6

Focused On-demand Libraries - Receptor.AI 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. Reaxense aids in their synthesis and provision.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


We employ our advanced, specialised process to create targeted libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
O95475

UPID:
SIX6_HUMAN

ALTERNATIVE NAMES:
Homeodomain protein OPTX2; Optic homeobox 2; Sine oculis homeobox homolog 6

ALTERNATIVE UPACC:
O95475; Q6NT42; Q9P1X8

BACKGROUND:
Homeobox protein SIX6, identified by alternative names such as Homeodomain protein OPTX2, Optic homeobox 2, and Sine oculis homeobox homolog 6, is a pivotal factor in ocular development. Its gene, symbolized by the UniProt accession O95475, is essential for the proper formation and differentiation of the visual system components.

THERAPEUTIC SIGNIFICANCE:
The protein's involvement in Optic disk anomalies with retinal and/or macular dystrophy underscores its therapeutic significance. This disease, characterized by a spectrum of optic nerve and retinal abnormalities, is linked to mutations affecting the SIX6 gene. Exploring the function of SIX6 offers a promising avenue for developing novel treatments for these debilitating visual impairments.

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