Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
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.
Our high-tech, dedicated method is applied to construct 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.
Several key aspects differentiate our library:
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.