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.
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 use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
P47736
UPID:
RPGP1_HUMAN
Alternative names:
-
Alternative UPACC:
P47736; J3QSS6; O75062; Q5T3S9; Q5T3T4; Q7Z5S8; Q9UQ51
Background:
Rap1 GTPase-activating protein 1 plays a pivotal role in cellular processes by acting as a GTPase activator for the nuclear Ras-related regulatory protein RAP-1A, transitioning it to its inactive GDP-bound state. This protein is essential in regulating cell adhesion, growth, and differentiation.
Therapeutic significance:
Understanding the role of Rap1 GTPase-activating protein 1 could open doors to potential therapeutic strategies. Its critical function in cellular signaling pathways highlights its potential as a target for drug discovery, aiming to modulate its activity for therapeutic benefits.