Focused On-demand Library for Serine/threonine-protein kinase PAK 5

Focused On-demand Libraries - Receptor.AI 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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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 for enzymes.


 

Fig. 1. The screening 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 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
Receptor.AI
 
UPACC
Q9P286

UPID:
PAK5_HUMAN

ALTERNATIVE NAMES:
p21-activated kinase 5; p21-activated kinase 7

ALTERNATIVE UPACC:
Q9P286; A8K5T6; D3DW14; Q5W115; Q8TB93; Q9BX09; Q9ULF6

BACKGROUND:
The enzyme Serine/threonine-protein kinase PAK 5, with alternative names p21-activated kinase 5 and 7, is integral to various cellular processes including cytoskeleton regulation, cell migration, and cell survival. Activation occurs through effectors like growth factor receptors or active CDC42 and RAC1, resulting in significant autophosphorylation. It enhances RAF1 kinase activity, supports cell survival by phosphorylating BAD, and influences cell morphology through CTNND1 phosphorylation and microtubule stabilization.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Serine/threonine-protein kinase PAK 5 offers a promising avenue for developing novel therapeutic approaches.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.


Page 8674 of 8789