AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for GDP-fucose transporter 1

Available from Reaxense
Predicted by Alphafold

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.

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

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

Q96A29

UPID:

FUCT1_HUMAN

Alternative names:

Solute carrier family 35 member C1

Alternative UPACC:

Q96A29; B2RDB2; Q9BV76; Q9NUJ8

Background:

GDP-fucose transporter 1, also known as Solute carrier family 35 member C1, plays a pivotal role in glycoprotein biosynthesis by facilitating the import of GDP-fucose from the cytoplasm into the Golgi lumen. This process is essential for the proper glycosylation of proteins, a critical post-translational modification that affects protein folding, stability, and function.

Therapeutic significance:

The protein's malfunction is linked to Congenital disorder of glycosylation 2C, a multisystem disorder characterized by a wide range of clinical features including intellectual disability and immunodeficiency. Understanding the role of GDP-fucose transporter 1 could open doors to potential therapeutic strategies for this disorder, highlighting its importance in medical research.

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