Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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.
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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q09428
UPID:
ABCC8_HUMAN
Alternative names:
Sulfonylurea receptor 1
Alternative UPACC:
Q09428; A6NMX8; E3UYX6; O75948; Q16583
Background:
ATP-binding cassette sub-family C member 8, also known as Sulfonylurea receptor 1, plays a pivotal role as a subunit of the beta-cell ATP-sensitive potassium channel (KATP). This protein is a crucial regulator of ATP-sensitive K(+) channels and insulin release, integral to maintaining glucose homeostasis.
Therapeutic significance:
The protein's malfunction is linked to several metabolic disorders, including Leucine-induced hypoglycemia, Hyperinsulinemic hypoglycemia, familial, 1, Permanent neonatal diabetes mellitus, 3, and Transient neonatal diabetes mellitus 2. These associations underscore its potential as a target for therapeutic interventions aimed at treating these conditions.