Focused On-demand Library for Glutamate decarboxylase 2

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

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.