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.
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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q99574
UPID:
NEUS_HUMAN
Alternative names:
Peptidase inhibitor 12; Serpin I1
Alternative UPACC:
Q99574; A8K217; D3DNP1; Q6AHZ4
Background:
Neuroserpin, also known as Peptidase inhibitor 12 or Serpin I1, plays a crucial role in the nervous system. It functions as a serine protease inhibitor, specifically inhibiting plasminogen activators and plasmin, but not thrombin. This protein is involved in synaptic connections formation, synaptic plasticity, and may protect neurons from damage.
Therapeutic significance:
Neuroserpin is linked to Encephalopathy, familial, with neuroserpin inclusion bodies, a neurodegenerative disease characterized by dementia, seizures, and cerebral atrophy. Understanding the role of Neuroserpin could open doors to potential therapeutic strategies for this condition.