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.
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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We employ our advanced, specialised process to create 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P54886
UPID:
P5CS_HUMAN
Alternative names:
Aldehyde dehydrogenase family 18 member A1
Alternative UPACC:
P54886; B2R5Q4; B7Z350; B7Z5X8; B7ZLP1; D3DR44; O95952; Q3KQU2; Q5T566; Q5T567; Q9UM72
Background:
Delta-1-pyrroline-5-carboxylate synthase, also known as Aldehyde dehydrogenase family 18 member A1, plays a crucial role in the biosynthesis of proline, ornithine, and arginine by converting glutamate to glutamate 5-semialdehyde. This enzyme is pivotal in cellular processes, including the response to osmotic stress and cell growth.
Therapeutic significance:
This protein is implicated in several diseases, such as Cutis laxa, autosomal recessive, 3A, and different forms of spastic paraplegia (SPG9A and SPG9B), characterized by neurodegenerative disorders and connective tissue anomalies. Understanding the role of Delta-1-pyrroline-5-carboxylate synthase could open doors to potential therapeutic strategies for these conditions.