AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Glutamate decarboxylase 2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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 our associate 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 high-tech, dedicated method is applied to construct targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

Reaxense

upacc

Q05329

UPID:

DCE2_HUMAN

Alternative names:

65 kDa glutamic acid decarboxylase; Glutamate decarboxylase 65 kDa isoform

Alternative UPACC:

Q05329; Q9UD87

Background:

Glutamate decarboxylase 2, also known as the 65 kDa glutamic acid decarboxylase or Glutamate decarboxylase 65 kDa isoform, plays a pivotal role in the central nervous system. It catalyzes the conversion of glutamate to gamma-aminobutyric acid (GABA), a critical neurotransmitter involved in inhibitory signaling pathways.

Therapeutic significance:

Understanding the role of Glutamate decarboxylase 2 could open doors to potential therapeutic strategies. Its crucial function in neurotransmitter synthesis highlights its potential as a target for modulating neural activity and treating neurological conditions.

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