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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

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 utilise our cutting-edge, exclusive workflow to develop 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

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.