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.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
Q92831

UPID:
KAT2B_HUMAN

ALTERNATIVE NAMES:
Histone acetyltransferase PCAF; Lysine acetyltransferase 2B; P300/CBP-associated factor; Spermidine acetyltransferase KAT2B

ALTERNATIVE UPACC:
Q92831; Q6NSK1

BACKGROUND:
The protein Histone acetyltransferase KAT2B, known for its significant histone acetyltransferase activity, is crucial in promoting transcriptional activation. It acetylates a variety of substrates, including core histones and non-histone proteins, playing roles in cell-cycle regulation, heart and limb development, and circadian rhythm maintenance. KAT2B's involvement in chromatin remodeling in response to HIV-1 infection highlights its importance in viral pathogenesis.

THERAPEUTIC SIGNIFICANCE:
Exploring the multifaceted functions of Histone acetyltransferase KAT2B offers a promising avenue for the development of novel therapeutic interventions.

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