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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop focused 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 stands out due to several important features:
partner
Reaxense
upacc
P29474
UPID:
NOS3_HUMAN
Alternative names:
Constitutive NOS; EC-NOS; NOS type III; Nitric oxide synthase, endothelial
Alternative UPACC:
P29474; A0S0A7; A0S0A8; A8KA63; B2RCQ1; E9PFR2; Q13662; Q14251; Q14434; Q548C1; Q6GSL5; Q9UDC6
Background:
Nitric oxide synthase 3 (NOS3), also known as endothelial NOS (eNOS), plays a pivotal role in vascular homeostasis by producing nitric oxide (NO). This enzyme is crucial for vascular smooth muscle relaxation, a process mediated by a cGMP-dependent pathway, and is involved in VEGF-induced angiogenesis and platelet activation.
Therapeutic significance:
Understanding the role of Nitric oxide synthase 3 could open doors to potential therapeutic strategies.