AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for L-lactate dehydrogenase A chain

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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

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.

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

P00338

UPID:

LDHA_HUMAN

Alternative names:

Cell proliferation-inducing gene 19 protein; LDH muscle subunit; Renal carcinoma antigen NY-REN-59

Alternative UPACC:

P00338; B4DKQ2; B7Z5E3; D3DQY3; F8W819; Q53G53; Q6IBM7; Q6ZNV1; Q9UDE8; Q9UDE9

Background:

The L-lactate dehydrogenase A chain, known by alternative names such as Cell proliferation-inducing gene 19 protein, LDH muscle subunit, and Renal carcinoma antigen NY-REN-59, plays a crucial role in cellular metabolism. It facilitates the interconversion of pyruvate and lactate with the simultaneous interconversion of NADH and NAD(+), a process vital for energy production in cells.

Therapeutic significance:

Glycogen storage disease 11, a metabolic disorder characterized by exertional myoglobinuria, pain, cramps, and easy fatigue, is directly linked to mutations affecting this protein. Understanding the role of L-lactate dehydrogenase A chain could lead to targeted therapies for this condition, highlighting its therapeutic significance.

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