Focused On-demand Library for Carboxyl-terminal PDZ ligand of neuronal nitric oxide synthase protein

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

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.

Our high-tech, dedicated method is applied to construct targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

O75052

UPID:

CAPON_HUMAN

Alternative names:

C-terminal PDZ ligand of neuronal nitric oxide synthase protein; Nitric oxide synthase 1 adaptor protein

Alternative UPACC:

O75052; B7ZLF5; O43564; Q3T551; Q5VU95

Background:

The Carboxyl-terminal PDZ ligand of neuronal nitric oxide synthase protein, also known as Nitric oxide synthase 1 adaptor protein, plays a pivotal role in neuronal nitric-oxide synthesis regulation. It facilitates the formation of a complex with NOS1 and synapsins, essential for specific NO and synapsin functions at a presynaptic level. Additionally, it is involved in podosome and filopodia formation in kidney podocytes through CDC42 activation.

Therapeutic significance:

Nephrotic syndrome 22, a severe renal disease characterized by proteinuria and potential end-stage renal failure, is linked to mutations affecting this protein. Understanding the role of Carboxyl-terminal PDZ ligand of neuronal nitric oxide synthase protein could open doors to potential therapeutic strategies for this condition.