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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
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.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P01111
UPID:
RASN_HUMAN
Alternative names:
Transforming protein N-Ras
Alternative UPACC:
P01111; Q14971; Q15104; Q15282
Background:
GTPase NRas, also known as Transforming protein N-Ras, plays a pivotal role in cell signaling pathways by alternating between an active GTP-bound state and an inactive GDP-bound state. Its intrinsic GTPase activity is crucial for regulating cell proliferation, differentiation, and survival.
Therapeutic significance:
Mutations in NRas are implicated in a variety of diseases, including juvenile myelomonocytic leukemia, Noonan syndrome 6, autoimmune leukoproliferative disorder, congenital melanocytic nevus syndrome, neurocutaneous melanosis, non-epidermolytic nevus, and non-medullary thyroid cancer 2. Targeting NRas or its downstream signaling pathways offers a promising avenue for developing treatments for these conditions.