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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
Q27J81
UPID:
INF2_HUMAN
Alternative names:
HBEBP2-binding protein C
Alternative UPACC:
Q27J81; Q27J83; Q69YL8; Q6P1X7; Q6PK22; Q86TR7; Q9BRM1; Q9H6N1
Background:
Inverted formin-2, also known as HBEBP2-binding protein C, plays a crucial role in cellular dynamics by severing actin filaments and modulating their polymerization and depolymerization. This protein's unique ability to influence actin architecture underpins its significance in various cellular processes.
Therapeutic significance:
Inverted formin-2 is implicated in Focal segmental glomerulosclerosis 5 and Charcot-Marie-Tooth disease, dominant intermediate E, both of which involve progressive organ dysfunction. Understanding the role of Inverted formin-2 could open doors to potential therapeutic strategies for these debilitating conditions.