Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
Our high-tech, dedicated method is applied to construct targeted 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
P07339
UPID:
CATD_HUMAN
Alternative names:
-
Alternative UPACC:
P07339; Q6IB57
Background:
Cathepsin D, encoded by the gene with accession number P07339, is an acid protease crucial for intracellular protein breakdown. It is involved in the processing of APP following activation by ADAM30, leading to APP degradation, a process linked to Alzheimer's disease pathogenesis. Additionally, Cathepsin D plays a pivotal role in the development of breast cancer.
Therapeutic significance:
The protein's involvement in neuronal ceroid lipofuscinosis, neuronal, 10, a neurodegenerative disease, underscores its therapeutic significance. Understanding Cathepsin D's role could pave the way for innovative treatments for this condition, Alzheimer's disease, and breast cancer.