Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.
We use our state-of-the-art dedicated workflow for designing focused libraries for protein-protein interfaces.
Fig. 1. The sreening workflow of Receptor.AI
It includes extensive molecular simulations of the target alone and in complex with its most relevant partner proteins, followed by ensemble virtual screening that accounts for conformational mobility in free and bound forms. The tentative binding pockets are considered on the protein-protein interface itself and in remote allosteric locations in order to cover the whole spectrum of possible mechanisms of action.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9HCK4
UPID:
ROBO2_HUMAN
Alternative names:
-
Alternative UPACC:
Q9HCK4; O43608; Q19AB4; Q19AB5
Background:
Roundabout homolog 2, encoded by the gene with accession number Q9HCK4, serves as a receptor for SLIT2 and likely SLIT1. These ligands are pivotal in cellular migration, including axonal navigation during neural development and axonal projection to various regions.
Therapeutic significance:
Vesicoureteral reflux 2, a congenital anomaly of the kidney and urinary tract, is associated with mutations affecting Roundabout homolog 2. Understanding its role could lead to novel therapeutic strategies for managing this condition and preventing its complications, such as urinary tract infections and renal scarring.