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.
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.
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.
Our top-notch dedicated system is used to design specialised 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q13087
UPID:
PDIA2_HUMAN
Alternative names:
Pancreas-specific protein disulfide isomerase
Alternative UPACC:
Q13087; A6ZJ64; B4DI27; Q2WGM4; Q4TT67; Q6B010; Q96KJ6; Q9BW95
Background:
Protein disulfide-isomerase A2, also known as pancreas-specific protein disulfide isomerase, plays a crucial role in cellular processes. It acts as an intracellular estrogen-binding protein, modulating cellular levels and biological functions of estrogens in the pancreas. Additionally, it may serve as a chaperone, preventing the aggregation of misfolded proteins.
Therapeutic significance:
Understanding the role of Protein disulfide-isomerase A2 could open doors to potential therapeutic strategies. Its involvement in modulating estrogen levels and preventing protein misfolding highlights its importance in cellular health and disease prevention.