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.


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 screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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
P41743

UPID:
KPCI_HUMAN

ALTERNATIVE NAMES:
Atypical protein kinase C-lambda/iota; nPKC-iota

ALTERNATIVE UPACC:
P41743; D3DNQ4; Q8WW06

BACKGROUND:
The Protein kinase C iota type, known alternatively as Atypical protein kinase C-lambda/iota, is integral to protecting cells from apoptotic stimuli, contributing to NF-kappa-B activation, and ensuring cell survival and differentiation. It plays a significant role in the regulation of microtubule dynamics and is involved in the resistance mechanisms of leukemia cells against apoptotic drugs.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Protein kinase C iota type offers promising avenues for therapeutic intervention. Its key role in apoptosis prevention and cell survival underscores its potential as a therapeutic target in cancer treatment and neurodegenerative disease management.

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