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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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.