Focused On-demand Library for Alpha-aminoadipic semialdehyde dehydrogenase

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.







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


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.

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