AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Isopentenyl-diphosphate Delta-isomerase 1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening 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.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q13907

UPID:

IDI1_HUMAN

Alternative names:

Isopentenyl pyrophosphate isomerase 1

Alternative UPACC:

Q13907; B4E155; Q32Q13; Q53GQ6; Q86U81; Q8WUX8; Q96IZ4; Q9BQ74

Background:

Isopentenyl-diphosphate Delta-isomerase 1, also known as Isopentenyl pyrophosphate isomerase 1, plays a crucial role in the biosynthesis of isoprenoids by catalyzing the conversion of isopentenyl (IPP) to dimethylallyl diphosphate (DMAPP). This enzymatic activity is fundamental for the production of terpenoids, a diverse class of organic compounds with various biological functions.

Therapeutic significance:

Understanding the role of Isopentenyl-diphosphate Delta-isomerase 1 could open doors to potential therapeutic strategies.

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