Focused On-demand Library for CDK5 regulatory subunit-associated protein 2

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
Q96SN8

UPID:
CK5P2_HUMAN

ALTERNATIVE NAMES:
CDK5 activator-binding protein C48; Centrosome-associated protein 215

ALTERNATIVE UPACC:
Q96SN8; Q5JV18; Q7Z3L4; Q7Z3U1; Q7Z7I6; Q9BSW0; Q9H6J6; Q9HCD9; Q9NV90; Q9UIW9

BACKGROUND:
The protein CDK5 regulatory subunit-associated protein 2, with alternative names CDK5 activator-binding protein C48 and Centrosome-associated protein 215, is integral to cellular division and brain development. It regulates CDK5 activity, centriole cohesion, mitotic spindle orientation, and microtubule polymerization. Additionally, it plays a role in the recruitment of the gamma-tubulin ring complex to centrosomes, essential for microtubule nucleation and extension.

THERAPEUTIC SIGNIFICANCE:
The association of CDK5 regulatory subunit-associated protein 2 with Microcephaly 3, an autosomal recessive disorder marked by reduced cerebral cortex size and mental retardation, highlights its potential as a target for therapeutic intervention. Understanding its function could lead to novel treatments for this and related neurological conditions.

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