Focused On-demand Library for AMP deaminase 2

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


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


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
Q01433

UPID:
AMPD2_HUMAN

ALTERNATIVE NAMES:
AMP deaminase isoform L

ALTERNATIVE UPACC:
Q01433; A0A5F9UK94; B4DK50; B4DZI5; E9PNG0; Q14856; Q14857; Q16686; Q16687; Q16688; Q16729; Q5T693; Q5T695; Q96IA1; Q9UDX8; Q9UDX9; Q9UMU4

BACKGROUND:
AMP deaminase 2, identified by its alternative name AMP deaminase isoform L, is integral to the purine nucleotide cycle, facilitating the conversion of AMP to IMP. This function underscores its critical role in maintaining energy balance within cells.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in Pontocerebellar hypoplasia 9 and Spastic paraplegia 63, AMP deaminase 2 presents a promising avenue for drug discovery. Understanding the role of AMP deaminase 2 could open doors to potential therapeutic strategies, marking a significant step forward in treating these genetic disorders.

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.


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