Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We employ our advanced, specialised process to create targeted 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 is unique due to several crucial aspects:
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.