Focused On-demand Library for Farnesyl pyrophosphate synthase

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.


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.


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

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.


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
P14324

UPID:
FPPS_HUMAN

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

ALTERNATIVE UPACC:
P14324; D3DV91; E9PCI9; Q96G29

BACKGROUND:
Farnesyl pyrophosphate synthase, known for its roles as Dimethylallyltranstransferase and Geranyltranstransferase, is central to the synthesis of farnesyl diphosphate. This enzyme's activity underpins the biosynthesis of several classes of essential metabolites, including sterols and ubiquinones, and is critical for protein prenylation processes.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in Porokeratosis 9, multiple types, understanding the role of Farnesyl pyrophosphate synthase could open doors to potential therapeutic strategies. Its function in the pathogenesis of skin disorders and neoplasm progression presents a promising target for drug discovery.

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