Focused On-demand Library for Guanosine-3',5'-bis(diphosphate) 3'-pyrophosphohydrolase MESH1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

Q8N4P3

UPID:

MESH1_HUMAN

Alternative names:

HD domain-containing protein 3; Metazoan SpoT homolog 1; Penta-phosphate guanosine-3'-pyrophosphohydrolase

Alternative UPACC:

Q8N4P3

Background:

Guanosine-3',5'-bis(diphosphate) 3'-pyrophosphohydrolase MESH1, also known as HD domain-containing protein 3, Metazoan SpoT homolog 1, and Penta-phosphate guanosine-3'-pyrophosphohydrolase, plays a crucial role in the starvation response by hydrolyzing ppGpp. This enzyme's activity is pivotal in bacterial stringent response, adapting to nutrient scarcity by regulating cellular processes.

Therapeutic significance:

Understanding the role of Guanosine-3',5'-bis(diphosphate) 3'-pyrophosphohydrolase MESH1 could open doors to potential therapeutic strategies. Its involvement in the starvation response mechanism highlights its potential as a target for interventions in diseases where nutrient sensing and metabolic adaptation are disrupted.