Focused On-demand Library for Alpha/beta hydrolase domain-containing protein 17B

Focused On-demand Libraries - Reaxense Collaboration

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.

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

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 distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q5VST6

UPID:

AB17B_HUMAN

Alternative names:

Alternative UPACC:

Q5VST6; A8KAJ5; Q5VST7; Q86YB6; Q8IY03; Q9Y377

Background:

Alpha/beta hydrolase domain-containing protein 17B, identified by the accession number Q5VST6, plays a crucial role in cellular processes through its enzymatic activity. It hydrolyzes fatty acids from S-acylated cysteine residues in proteins, impacting the function and localization of several key proteins such as DLG4/PSD95, GAP43, MAP6, and NRAS. This protein's ability to modify the palmitoylation status of these substrates suggests a significant regulatory mechanism in cell signaling and neural development.

Therapeutic significance:

Understanding the role of Alpha/beta hydrolase domain-containing protein 17B could open doors to potential therapeutic strategies. Its involvement in the depalmitoylation of proteins critical for neural function and signaling pathways highlights its potential as a target in neurological disorders and cancers where these pathways are dysregulated.