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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 use our state-of-the-art dedicated workflow for designing focused 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
O94830
UPID:
DDHD2_HUMAN
Alternative names:
DDHD domain-containing protein 2; KIAA0725p; SAM, WWE and DDHD domain-containing protein 1
Alternative UPACC:
O94830; B3KWV2; B3KXB5; Q9H8X7
Background:
Phospholipase DDHD2, also known as DDHD domain-containing protein 2, KIAA0725p, and SAM, WWE and DDHD domain-containing protein 1, plays a crucial role in lipid metabolism. It preferentially hydrolyzes phosphatidic acid and phosphatidylethanolamine, and binds to various phosphatidylinositols, contributing to the maintenance of the endoplasmic reticulum and Golgi structures. This protein's interaction with cellular membranes may regulate transport between the Golgi apparatus and plasma membrane.
Therapeutic significance:
Phospholipase DDHD2 is implicated in Spastic paraplegia 54, an autosomal recessive neurodegenerative disorder. Understanding the role of Phospholipase DDHD2 could open doors to potential therapeutic strategies for treating this condition, highlighting its significance in neurodegenerative disease research.