Focused On-demand Library for Histone acetyltransferase KAT6A

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by Reaxense.


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 for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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
Q92794

UPID:
KAT6A_HUMAN

ALTERNATIVE NAMES:
MOZ, YBF2/SAS3, SAS2 and TIP60 protein 3; Monocytic leukemia zinc finger protein; Runt-related transcription factor-binding protein 2; Zinc finger protein 220

ALTERNATIVE UPACC:
Q92794; Q76L81

BACKGROUND:
The protein Histone acetyltransferase KAT6A, with alternative names such as Monocytic leukemia zinc finger protein and Zinc finger protein 220, is integral to epigenetic regulation. By acetylating histone H3 and H4, KAT6A modulates DNA accessibility, facilitating gene transcription. Its interaction with RUNX1, RUNX2, and p53/TP53 underscores its significance in cellular processes including cell cycle regulation and response to stress.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in Arboleda-Tham syndrome through gene mutations, targeting KAT6A offers a promising avenue for therapeutic intervention. Understanding the role of Histone acetyltransferase KAT6A could open doors to potential therapeutic strategies.

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