Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 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.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q99962
UPID:
SH3G2_HUMAN
Alternative names:
EEN-B1; Endophilin-1; SH3 domain protein 2A; SH3 domain-containing GRB2-like protein 2
Alternative UPACC:
Q99962; B2R618; Q9NQK5
Background:
Endophilin-A1, known by alternative names such as EEN-B1, Endophilin-1, SH3 domain protein 2A, and SH3 domain-containing GRB2-like protein 2, plays a crucial role in synaptic vesicle endocytosis. It is essential for recruiting proteins to membranes with high curvature and is required for BDNF-dependent dendrite outgrowth. Furthermore, Endophilin-A1 cooperates with SH3GL2 to facilitate BDNF-NTRK2 early endocytic trafficking and signaling from early endosomes.
Therapeutic significance:
Understanding the role of Endophilin-A1 could open doors to potential therapeutic strategies.