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 top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P01112
UPID:
RASH_HUMAN
Alternative names:
H-Ras-1; Ha-Ras; Transforming protein p21; c-H-ras; p21ras
Alternative UPACC:
P01112; B5BUA0; Q14080; Q6FHV9; Q9BR65; Q9UCE2
Background:
GTPase HRas, known by alternative names such as H-Ras-1 and c-H-ras, plays a pivotal role in the activation of Ras protein signal transduction. This protein is integral to the conversion of GDP to GTP, influencing intrinsic GTPase activity, a critical process in cellular signaling pathways.
Therapeutic significance:
HRas is implicated in various diseases, including Costello syndrome, congenital myopathy, non-medullary thyroid cancer, bladder cancer, and Schimmelpenning-Feuerstein-Mims syndrome. These associations highlight its potential as a target for therapeutic intervention in these conditions.