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 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 utilise our cutting-edge, exclusive workflow to develop focused 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P29475
UPID:
NOS1_HUMAN
Alternative names:
Constitutive NOS; NC-NOS; NOS type I; Neuronal NOS; Nitric oxide synthase, brain; Peptidyl-cysteine S-nitrosylase NOS1
Alternative UPACC:
P29475; E9PH30; O75713
Background:
Nitric oxide synthase 1 (NOS1), also known as Neuronal NOS or Nitric oxide synthase, brain, plays a pivotal role in producing nitric oxide (NO), a versatile messenger molecule involved in various physiological processes. NO's functions range from acting as a neurotransmitter in the brain and peripheral nervous system to mediating cysteine S-nitrosylation of cytoplasmic target proteins such as SRR, showcasing NOS1's nitrosylase activity.
Therapeutic significance:
Understanding the role of Nitric oxide synthase 1 could open doors to potential therapeutic strategies.