Focused On-demand Library for PHD finger protein 21A

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 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 high-tech, dedicated method is applied to construct targeted 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.

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

Reaxense

upacc

Q96BD5

UPID:

PF21A_HUMAN

Alternative names:

BHC80a; BRAF35-HDAC complex protein BHC80

Alternative UPACC:

Q96BD5; D3DQP5; Q6AWA2; Q9C0G7; Q9H8V9; Q9HAK6; Q9NZE9

Background:

PHD finger protein 21A, also known as BHC80a and BRAF35-HDAC complex protein BHC80, plays a crucial role in the BHC complex, a corepressor mechanism that regulates transcription of neuron-specific genes in non-neuronal cells. It functions by modifying chromatin through deacetylation and demethylation, acting as a scaffold within the BHC complex and regulating demethylation processes.

Therapeutic significance:

The protein is implicated in Intellectual developmental disorder with behavioral abnormalities and craniofacial dysmorphism with or without seizures, a condition stemming from gene variants. Understanding PHD finger protein 21A's role could unveil new therapeutic strategies for this disorder.