AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for L-aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase

Available from Reaxense
Predicted by Alphafold

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.

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.

Our top-notch dedicated system is used to design specialised 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 stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9NRN7

UPID:

ADPPT_HUMAN

Alternative names:

4'-phosphopantetheinyl transferase; Alpha-aminoadipic semialdehyde dehydrogenase-phosphopantetheinyl transferase; LYS5 ortholog

Alternative UPACC:

Q9NRN7; B2R6D1; B4DDW7; Q9C068; Q9P0Q3; Q9UG80; Q9Y389

Background:

L-aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase, also known by alternative names such as 4'-phosphopantetheinyl transferase, plays a crucial role in the post-translational modification of proteins. It facilitates the transfer of the 4'-phosphopantetheine moiety from coenzyme A to serine residues on a wide array of acceptor proteins, including the acyl carrier domain of FASN. This enzymatic activity is pivotal for the functional activation of numerous enzyme complexes.

Therapeutic significance:

Understanding the role of L-aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase could open doors to potential therapeutic strategies.

Looking for more information on this library or underlying technology? Fill out the form below and we'll be in touch with all the details you need.
Thank you! Your submission has been received!
Oops! Something went wrong while submitting the form.