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.
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 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for protein-protein interfaces.
Fig. 1. The sreening workflow of Receptor.AI
The approach involves in-depth molecular simulations of the target protein by itself and in complex with its primary partner proteins, paired with ensemble virtual screening that factors in conformational mobility in both the unbound and complex states. The tentative binding pockets are identified at the protein-protein interaction interface and in distant allosteric areas, aiming to capture the full range of mechanisms of action.
Key features that set our library apart include:
partner
Reaxense
upacc
Q16637
UPID:
SMN_HUMAN
Alternative names:
Component of gems 1; Gemin-1
Alternative UPACC:
Q16637; A8K0V4; Q13119; Q549U5; Q96J51
Background:
The Survival Motor Neuron (SMN) protein, also known as Gemin-1, plays a pivotal role in the assembly of small nuclear ribonucleoproteins (snRNPs), essential for pre-mRNA splicing. Its function is crucial in the spliceosome's formation, impacting cellular RNA processing and gene expression regulation.
Therapeutic significance:
Mutations in SMN1 are directly linked to Spinal Muscular Atrophy (SMA), a neuromuscular disorder with varying degrees of severity. Understanding the role of Survival Motor Neuron protein could open doors to potential therapeutic strategies for SMA, offering hope for targeted treatments.