Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 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.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.


Our library is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.


PARTNER
Receptor.AI
 
UPACC
Q9NQV8

UPID:
PRDM8_HUMAN

ALTERNATIVE NAMES:
PR domain-containing protein 8

ALTERNATIVE UPACC:
Q9NQV8; A8K7X2; Q6IQ36

BACKGROUND:
The PR domain zinc finger protein 8, with its alternative identity as PR domain-containing protein 8, is pivotal in histone modification, specifically methylating 'Lys-9' of histone H3. Its involvement extends to the repression of genes critical for steroidogenesis, such as CYP17A1 and LHCGR, and it collaborates with BHLHE22 in a transcriptional repressor complex that governs neural development and differentiation. Its necessity for the survival of specific retinal cells highlights its importance in visual function.

THERAPEUTIC SIGNIFICANCE:
Given its link to Epilepsy, progressive myoclonic 10, characterized by progressive neurodegeneration and a variety of epileptic seizures, the study of PR domain zinc finger protein 8 holds promise for uncovering novel therapeutic avenues. The exploration of its function and mechanisms may provide critical insights into treating this debilitating condition.

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