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.
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.
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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9BX10
UPID:
GTPB2_HUMAN
Alternative names:
-
Alternative UPACC:
Q9BX10; Q5T7E8; Q8ND84; Q8TAH7; Q8WUA5; Q9HCS9; Q9NRU4; Q9NX60
Background:
GTP-binding protein 2 plays a crucial role in cellular processes, acting as a molecular switch within various signaling pathways. Its precise mechanisms, however, remain to be fully elucidated, making it a subject of significant scientific interest.
Therapeutic significance:
Linked to Jaberi-Elahi syndrome, a disorder marked by developmental delay and neurological abnormalities, GTP-binding protein 2's study could lead to novel therapeutic approaches for this and potentially other related conditions.