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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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.
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:
partner
Reaxense
upacc
Q7Z699
UPID:
SPRE1_HUMAN
Alternative names:
-
Alternative UPACC:
Q7Z699; B2RPJ8; Q05D53; Q8N256
Background:
Sprouty-related, EVH1 domain-containing protein 1 plays a pivotal role in cellular processes by inhibiting growth-factor-mediated activation of MAP kinase and negatively regulating hematopoiesis of bone marrow. It also plays a role in inhibiting fibroblast growth factor-induced retinal lens fiber differentiation and attenuates actin stress fiber formation, highlighting its multifaceted role in biological systems.
Therapeutic significance:
Linked to Legius syndrome, a condition characterized by cafe-au-lait macules, macrocephaly, and learning disabilities, this protein's genetic variants offer a unique insight into disease mechanisms. Understanding the role of Sprouty-related, EVH1 domain-containing protein 1 could open doors to potential therapeutic strategies for managing Legius syndrome and related disorders.