AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Phosphatidylserine decarboxylase proenzyme, mitochondrial

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

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 our partner Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

 Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

Reaxense

upacc

Q9UG56

UPID:

PISD_HUMAN

Alternative names:

-

Alternative UPACC:

Q9UG56; B1AKM7; O43207; O95535; Q6IC28; Q96GQ2; Q9UGA9

Background:

The Phosphatidylserine decarboxylase proenzyme, mitochondrial, plays a pivotal role in phospholipid metabolism, catalyzing the conversion of phosphatidylserine to phosphatidylethanolamine. This process is crucial for the maintenance of cellular membrane integrity and the trafficking of phospholipids between organelles. Additionally, it may contribute to lipid droplet formation at the endoplasmic reticulum membrane.

Therapeutic significance:

Linked to Liberfarb syndrome, a disorder impacting eye, ear, bone, and brain development, understanding the role of Phosphatidylserine decarboxylase could open doors to potential therapeutic strategies. Its involvement in early-onset retinal degeneration, sensorineural hearing loss, and skeletal dysplasia highlights its therapeutic potential.

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