Focused On-demand Library for Delta-1-pyrroline-5-carboxylate synthase

Focused On-demand Libraries - Reaxense Collaboration

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

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.