AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for RAC-gamma serine/threonine-protein kinase

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

 Fig. 1. The sreening 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

Reaxense

upacc

Q9Y243

UPID:

AKT3_HUMAN

Alternative names:

Protein kinase Akt-3; Protein kinase B gamma; RAC-PK-gamma; STK-2

Alternative UPACC:

Q9Y243; Q0VAA6; Q5VTI1; Q5VTI2; Q96QV3; Q9UFP5

Background:

RAC-gamma serine/threonine-protein kinase, also known as Protein kinase Akt-3, plays a pivotal role in various cellular processes including metabolism, proliferation, cell survival, growth, and angiogenesis. It is part of the AKT kinase family, with specificity in brain development and the viability of malignant glioma cells.

Therapeutic significance:

The involvement of AKT3 in Megalencephaly-polymicrogyria-polydactyly-hydrocephalus syndrome 2 highlights its potential as a target for therapeutic intervention. Understanding its role could lead to novel treatments for this and possibly other related disorders.

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