Focused On-demand Library for Adenylate kinase isoenzyme 6

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.


We utilise our cutting-edge, exclusive workflow to develop focused 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.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
Q9Y3D8

UPID:
KAD6_HUMAN

ALTERNATIVE NAMES:
Adrenal gland protein AD-004; Coilin-interacting nuclear ATPase protein; Dual activity adenylate kinase/ATPase

ALTERNATIVE UPACC:
Q9Y3D8; A8MSZ6; Q5F2S9

BACKGROUND:
The enzyme Adenylate kinase isoenzyme 6, also referred to as Adrenal gland protein AD-004, Coilin-interacting nuclear ATPase protein, and Dual activity adenylate kinase/ATPase, is integral to the regulation of nucleotide metabolism. It efficiently catalyzes the phosphorylation of nucleoside monophosphates to their triphosphate counterparts, favoring AMP, dAMP, and to a lesser extent, IMP. Its broad specificity for phosphate donors, with CTP being the most effective, highlights its critical function in maintaining nuclear energy balance and its potential involvement in the regulation of Cajal body dynamics.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Adenylate kinase isoenzyme 6 could open doors to potential therapeutic strategies.

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