Focused On-demand Library for Serine palmitoyltransferase 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

O15269

UPID:

SPTC1_HUMAN

Alternative names:

Long chain base biosynthesis protein 1; Serine-palmitoyl-CoA transferase 1

Alternative UPACC:

O15269; A8K681; Q5VWB4; Q96IX6

Background:

Serine palmitoyltransferase 1 (SPTLC1) plays a pivotal role in sphingolipid biosynthesis, catalyzing the initial step of this critical pathway. It forms a heterodimer with SPTLC2 or SPTLC3, determining substrate specificity. The SPTLC1-SPTLC2-SPTSSA complex prefers C16-CoA, while the SPTLC1-SPTLC3-SPTSSA variant slightly favors C14-CoA. Additionally, SPTLC1 is essential for adipocyte viability and metabolic balance.

Therapeutic significance:

SPTLC1's mutation leads to Neuropathy, hereditary sensory and autonomic, 1A (HSAN1A), characterized by sensory loss and autonomic dysfunction. Understanding SPTLC1's role could unveil new therapeutic strategies for HSAN1A, focusing on restoring sensory and autonomic functions.