Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q86WU2
UPID:
LDHD_HUMAN
Alternative names:
-
Alternative UPACC:
Q86WU2; Q8IZK5
Background:
Probable D-lactate dehydrogenase, mitochondrial, encoded by the gene with accession number Q86WU2, plays a crucial role in the catabolic process of D-lactate, distinguishing it from L-lactate. This specificity is vital for metabolic pathways within mitochondria, impacting energy production and cellular health.
Therapeutic significance:
The protein's involvement in D-lactic aciduria with gout, a metabolic disorder characterized by D-lactic aciduria in the presence of normal plasma lactic acid, highlights its potential as a target for therapeutic intervention. Understanding the role of Probable D-lactate dehydrogenase, mitochondrial could open doors to potential therapeutic strategies.