Focused On-demand Library for Pulmonary surfactant-associated protein C

Focused On-demand Libraries - Reaxense Collaboration

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.

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

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

P11686

UPID:

PSPC_HUMAN

Alternative names:

Pulmonary surfactant-associated proteolipid SPL(Val); SP5

Alternative UPACC:

P11686; A6XNE4; B2RE00; E9PGX3; P11687; Q12793; Q7Z5D0

Background:

Pulmonary surfactant-associated protein C, also known as SP5 or Pulmonary surfactant-associated proteolipid SPL(Val), plays a crucial role in respiratory function. It is instrumental in promoting alveolar stability by reducing the surface tension at the air-liquid interface in the lungs' peripheral air spaces. This protein's action is vital for efficient gas exchange and lung compliance.

Therapeutic significance:

Mutations in the gene encoding Pulmonary surfactant-associated protein C are linked to Pulmonary surfactant metabolism dysfunction 2 and Respiratory distress syndrome in premature infants. These conditions underscore the protein's critical role in lung health, suggesting that targeted therapies could ameliorate or prevent the progression of related diseases.