Focused On-demand Library for Protein transport protein Sec23A

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Q15436

UPID:

SC23A_HUMAN

Alternative names:

SEC23-related protein A

Alternative UPACC:

Q15436; B2R5P4; B3KXI2; Q8NE16

Background:

Protein transport protein Sec23A, also known as SEC23-related protein A, plays a pivotal role in cellular transport mechanisms. It is a crucial component of the coat protein complex II (COPII), which is instrumental in forming transport vesicles from the endoplasmic reticulum (ER). This process is essential for the physical deformation of the ER membrane into vesicles and the selection of cargo molecules for transport to the Golgi complex. Additionally, Sec23A is required for the translocation of the insulin-induced glucose transporter SLC2A4/GLUT4 to the cell membrane, highlighting its significance in glucose metabolism.

Therapeutic significance:

Given its involvement in Craniolenticulosutural dysplasia, a syndrome characterized by late-closing fontanels, sutural cataracts, facial dysmorphisms, and skeletal defects, understanding the role of Protein transport protein Sec23A could open doors to potential therapeutic strategies. Its critical function in cellular transport and glucose metabolism makes it a promising target for addressing the underlying molecular mechanisms of this syndrome.