Focused On-demand Library for Membrane-bound transcription factor site-1 protease

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

Q14703

UPID:

MBTP1_HUMAN

Alternative names:

Endopeptidase S1P; Subtilisin/kexin-isozyme 1

Alternative UPACC:

Q14703; A8K6V8; Q24JQ2; Q9UF67

Background:

Membrane-bound transcription factor site-1 protease (MBTPS1), also known as Endopeptidase S1P and Subtilisin/kexin-isozyme 1, plays a pivotal role in various cellular processes. It is a serine protease that cleaves after hydrophobic or small residues, crucial for the activation of sterol regulatory element-binding proteins and the cyclic AMP-dependent transcription factor ATF-6. Additionally, it participates in lysosome biogenesis and collagen trafficking.

Therapeutic significance:

MBTPS1's involvement in Spondyloepiphyseal dysplasia, Kondo-Fu type, a disorder marked by growth retardation and skeletal abnormalities, underscores its therapeutic potential. Understanding the role of MBTPS1 could open doors to potential therapeutic strategies.