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

Focused On-demand Libraries - Reaxense 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. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

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:

CDK5 regulatory subunit-associated protein 2, also known as CDK5 activator-binding protein C48 and Centrosome-associated protein 215, plays a crucial role in cell cycle regulation. It acts as a potential regulator of CDK5 activity through its interaction with CDK5R1 and is a negative regulator of centriole disengagement. This protein is involved in mitotic spindle orientation, spindle checkpoint activation, and microtubule dynamics, contributing to centrosomal maturation and neurogenesis.

Therapeutic significance:

Given its involvement in Microcephaly 3, primary, autosomal recessive, a condition characterized by significantly reduced brain size and mental retardation, understanding the role of CDK5 regulatory subunit-associated protein 2 could open doors to potential therapeutic strategies.