Focused On-demand Library for Diphosphomevalonate decarboxylase

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.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by Reaxense.


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.


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
P53602

UPID:
MVD1_HUMAN

ALTERNATIVE NAMES:
Mevalonate (diphospho)decarboxylase; Mevalonate pyrophosphate decarboxylase

ALTERNATIVE UPACC:
P53602; Q53Y65

BACKGROUND:
The enzyme Diphosphomevalonate decarboxylase, known alternatively as Mevalonate pyrophosphate decarboxylase, is crucial in synthesizing isopentenyl diphosphate (IPP) through the mevalonate pathway. This process is essential for the production of isoprenoids and sterols, highlighting the enzyme's central role in cellular functions.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Diphosphomevalonate decarboxylase could open doors to potential therapeutic strategies for treating Porokeratosis 7, multiple types. This condition, linked to the enzyme's gene, involves complex keratinization processes that can lead to cutaneous neoplasms.

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