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.
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.
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.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
O43272
UPID:
PROD_HUMAN
Alternative names:
Proline oxidase; Proline oxidase 2; p53-induced gene 6 protein
Alternative UPACC:
O43272; A6NF53; O14680; Q0P507; Q147W8; Q504W1; Q59FI8; Q6NV86; Q9UF13
Background:
Proline dehydrogenase 1, mitochondrial, also known as Proline oxidase, plays a crucial role in the metabolism of proline, converting it to delta-1-pyrroline-5-carboxylate. This enzyme, identified by the accession number O43272, is pivotal in cellular processes, with alternative names including Proline oxidase 2 and p53-induced gene 6 protein.
Therapeutic significance:
The enzyme's dysfunction is linked to Hyperprolinemia 1, a condition characterized by elevated proline levels, potentially leading to neurological issues and an association with schizophrenia. Understanding the role of Proline dehydrogenase 1 could open doors to potential therapeutic strategies for these conditions.