Focused On-demand Library for Glutathione S-transferase theta-4

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 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 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 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 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

A0A1W2PR19

UPID:

GSTT4_HUMAN

Alternative names:

GST class-theta-4; Glutathione S-transferase theta pseudogene 1

Alternative UPACC:

A0A1W2PR19

Background:

Glutathione S-transferase theta-4 (GSTT4), also known as GST class-theta-4 and Glutathione S-transferase theta pseudogene 1, plays a crucial role in the detoxification process. It achieves this by facilitating the conjugation of reduced glutathione to a wide array of hydrophobic electrophiles, both exogenous and endogenous. This activity is vital for cellular defense mechanisms against toxicants and carcinogens.

Therapeutic significance:

Understanding the role of Glutathione S-transferase theta-4 could open doors to potential therapeutic strategies. Its involvement in detoxification processes positions it as a key target for enhancing drug efficacy and reducing adverse drug reactions.