Focused On-demand Library for Aldehyde dehydrogenase family 3 member B1

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.

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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We employ our advanced, specialised process to create targeted 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 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

P43353

UPID:

AL3B1_HUMAN

Alternative names:

Aldehyde dehydrogenase 7

Alternative UPACC:

P43353; A3FMP9; Q53XL5; Q8N515; Q96CK8

Background:

Aldehyde dehydrogenase family 3 member B1, also known as Aldehyde dehydrogenase 7, plays a crucial role in the metabolism of medium to long chain saturated and unsaturated aldehydes, including benzaldehyde. It exhibits low activity towards acetaldehyde and 3,4-dihydroxyphenylacetaldehyde. This enzyme can utilize both NADP(+) and NAD(+) as electron acceptors, highlighting its versatility in cellular processes. Its ability to metabolize harmful aldehydes suggests a protective role against lipid peroxidation-induced cytotoxicity.

Therapeutic significance:

Understanding the role of Aldehyde dehydrogenase family 3 member B1 could open doors to potential therapeutic strategies. Its involvement in aldehyde metabolism and protection against lipid peroxidation underscores its potential in mitigating diseases related to oxidative stress.