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 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.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q5VXJ0
UPID:
LIPK_HUMAN
Alternative names:
Lipase-like abhydrolase domain-containing protein 2
Alternative UPACC:
Q5VXJ0; A7KIH8
Background:
Lipase member K, alternatively known as Lipase-like abhydrolase domain-containing protein 2, plays a pivotal role in the final step of keratinocyte differentiation. Its unique function in lipid metabolism within the most differentiated layers of the epidermis underscores its importance in skin health and integrity.
Therapeutic significance:
Understanding the role of Lipase member K could open doors to potential therapeutic strategies. Its essential function in the epidermis's lipid metabolism highlights its potential as a target for treating skin disorders.