AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Phosphofurin acidic cluster sorting protein 2

Available from Reaxense
Predicted by Alphafold

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

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.

We use our state-of-the-art dedicated workflow for designing focused libraries.

 Fig. 1. The sreening 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

Reaxense

upacc

Q86VP3

UPID:

PACS2_HUMAN

Alternative names:

PACS1-like protein

Alternative UPACC:

Q86VP3; A2VDJ9; G8JLK3; O60342; Q6P191; Q96FL7

Background:

Phosphofurin acidic cluster sorting protein 2 (PACS2) is a multifunctional sorting protein pivotal for endoplasmic reticulum (ER)-mitochondria communication, ER homeostasis, and apoptosis regulation. It facilitates the apposition of mitochondria with the ER and directs acidic cluster-containing ion channels to specific subcellular compartments.

Therapeutic significance:

PACS2's involvement in Developmental and epileptic encephalopathy 66 (DEE66), a severe early-onset epilepsy, underscores its therapeutic potential. Understanding the role of PACS2 could open doors to potential therapeutic strategies for DEE66 and related neurological disorders.

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