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 top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P07988
UPID:
PSPB_HUMAN
Alternative names:
18 kDa pulmonary-surfactant protein; 6 kDa protein; Pulmonary surfactant-associated proteolipid SPL(Phe)
Alternative UPACC:
P07988; Q96R04
Background:
Pulmonary surfactant-associated protein B, known as SP-B, is crucial for lung function, promoting alveolar stability by reducing surface tension in the air spaces. This protein, with alternative names such as 18 kDa pulmonary-surfactant protein and Pulmonary surfactant-associated proteolipid SPL(Phe), plays a pivotal role in respiratory physiology.
Therapeutic significance:
SP-B is linked to Pulmonary surfactant metabolism dysfunction 1, a rare lung disorder, and Respiratory distress syndrome in premature infants, highlighting its therapeutic potential. Understanding SP-B's role could lead to novel treatments for these life-threatening conditions.