Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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
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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P36894
UPID:
BMR1A_HUMAN
Alternative names:
Activin receptor-like kinase 3; Serine/threonine-protein kinase receptor R5
Alternative UPACC:
P36894; A8K6U9; Q8NEN8
Background:
The Bone morphogenetic protein receptor type-1A (BMPR-1A), also known as Activin receptor-like kinase 3 and Serine/threonine-protein kinase receptor R5, plays a pivotal role in cellular processes. It forms a receptor complex upon ligand binding, activating SMAD transcriptional regulators through phosphorylation. This receptor is crucial for BMP2, BMP4, GDF5, and GDF6 signaling, influencing chondrocyte differentiation, adipogenesis, and potentially HAMP expression.
Therapeutic significance:
BMPR-1A's involvement in Juvenile polyposis syndrome and Mixed hereditary polyposis syndrome 2, diseases characterized by gastrointestinal polyps and an increased cancer risk, underscores its therapeutic potential. Targeting BMPR-1A could lead to innovative treatments for these conditions, highlighting the importance of understanding its biological functions.