Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P49419
UPID:
AL7A1_HUMAN
Alternative names:
Aldehyde dehydrogenase family 7 member A1; Antiquitin-1; Betaine aldehyde dehydrogenase; Delta1-piperideine-6-carboxylate dehydrogenase
Alternative UPACC:
P49419; B2R669; B4DIC7; B4DMA0; E7EPT3; O14619; Q6IPU8; Q9BUL4
Background:
Alpha-aminoadipic semialdehyde dehydrogenase, also known as Aldehyde dehydrogenase family 7 member A1, Antiquitin-1, Betaine aldehyde dehydrogenase, and Delta1-piperideine-6-carboxylate dehydrogenase, plays a crucial role in cellular defense. It metabolizes betaine aldehyde to betaine, vital for cellular osmolyte balance and as a methyl donor, and processes lipid peroxidation-derived aldehydes, safeguarding cells from oxidative stress. Additionally, it is involved in lysine catabolism.
Therapeutic significance:
This protein's malfunction is directly linked to Pyridoxine-dependent epilepsy, a severe condition characterized by various seizure types unresponsive to standard anticonvulsants and only treatable with pyridoxine hydrochloride. Understanding the role of Alpha-aminoadipic semialdehyde dehydrogenase could lead to innovative therapeutic strategies for this and potentially other related neurological disorders.