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.
We utilise our cutting-edge, exclusive workflow to develop focused 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
P27037
UPID:
AVR2A_HUMAN
Alternative names:
Activin receptor type IIA
Alternative UPACC:
P27037; B2RAB8; B4DWQ2; D3DP85; Q53TH4; Q6NWV2; Q92474
Background:
Activin receptor type-2A, a transmembrane serine/threonine kinase, is pivotal in cellular communication. It forms a receptor complex upon ligand binding, involving two type II and two type I kinases. This complex initiates a cascade, phosphorylating type I receptors, which then autophosphorylate and activate SMAD transcriptional regulators. It is the receptor for activin A, activin B, and inhibin A, playing a crucial role in adipogenesis mediated by GDF6.
Therapeutic significance:
Understanding the role of Activin receptor type-2A could open doors to potential therapeutic strategies. Its involvement in critical signaling pathways underscores its potential as a target in regulating adipogenesis and cellular communication.