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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library is unique due to several crucial aspects:
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.