Focused On-demand Library for Geranylgeranyl pyrophosphate synthase

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.


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


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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
O95749

UPID:
GGPPS_HUMAN

ALTERNATIVE NAMES:
(2E,6E)-farnesyl diphosphate synthase; Dimethylallyltranstransferase; Farnesyl diphosphate synthase; Farnesyltranstransferase; Geranylgeranyl diphosphate synthase; Geranyltranstransferase

ALTERNATIVE UPACC:
O95749; A8MVQ8; Q5T2C8; Q6NW19

BACKGROUND:
Geranylgeranyl pyrophosphate synthase catalyzes the formation of geranylgeranyl pyrophosphate, a key precursor in the synthesis of vital biological molecules. Its activity influences the production of carotenoids and proteins undergoing geranylation, which are critical for numerous cellular processes.

THERAPEUTIC SIGNIFICANCE:
This enzyme's malfunction is associated with a rare autosomal recessive disorder characterized by progressive muscle weakness, sensorineural hearing loss, and primary amenorrhea. Targeting Geranylgeranyl pyrophosphate synthase offers a promising avenue for developing treatments for this debilitating syndrome.

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