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.
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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We utilise our cutting-edge, exclusive workflow to develop focused 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
C9J798
UPID:
RAS4B_HUMAN
Alternative names:
-
Alternative UPACC:
C9J798
Background:
Ras GTPase-activating protein 4B plays a pivotal role in cellular signaling by modulating the Ras-MAPK pathway through its Ca(2+)-dependent Ras GTPase-activating function. This protein is instrumental in controlling cell proliferation, differentiation, and survival.
Therapeutic significance:
Understanding the role of Ras GTPase-activating protein 4B could open doors to potential therapeutic strategies. Its critical function in the Ras-MAPK pathway suggests its involvement in key cellular processes, making it a target of interest for drug discovery efforts.