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.
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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
O14807
UPID:
RASM_HUMAN
Alternative names:
Ras-related protein R-Ras3
Alternative UPACC:
O14807; B4DIK0; Q86WX8
Background:
Ras-related protein M-Ras, also known as R-Ras3, plays a pivotal role in cell signaling pathways. It is an essential signal transducer that activates the MAP kinase pathway, a critical mechanism in controlling cell proliferation. This protein's involvement in such fundamental cellular processes underscores its importance in biological systems.
Therapeutic significance:
Noonan syndrome 11, characterized by a spectrum of physical and developmental anomalies, is directly linked to variants affecting the Ras-related protein M-Ras gene. Given its crucial role in this condition, targeting M-Ras could offer a novel therapeutic approach for managing Noonan syndrome 11 and potentially other related disorders.