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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q13705
UPID:
AVR2B_HUMAN
Alternative names:
Activin receptor type IIB
Alternative UPACC:
Q13705; Q4VAV0
Background:
Activin receptor type-2B, a transmembrane serine/threonine kinase, plays a pivotal role in various physiological processes. It forms an activin receptor complex with type-1 serine/threonine kinase receptors, transducing activin signals from the cell surface to the cytoplasm. This receptor is crucial for neuronal differentiation, hair follicle development, FSH production, wound healing, and more. Its ability to regulate extracellular matrix production and immunosuppression also links it to carcinogenesis.
Therapeutic significance:
Given its involvement in visceral heterotaxy, a disorder disrupting normal organ asymmetry, Activin receptor type-2B is a key target for therapeutic intervention. Understanding its role could lead to novel treatments for congenital defects, including cardiac malformations and spleen anomalies, associated with this condition.