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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q96DN0
UPID:
ERP27_HUMAN
Alternative names:
Inactive protein disulfide-isomerase 27
Alternative UPACC:
Q96DN0
Background:
Endoplasmic reticulum resident protein 27, also known as Inactive protein disulfide-isomerase 27, plays a crucial role in protein folding. It specifically binds to unfolded proteins, potentially recruiting protein disulfide isomerase PDIA3 to these substrates. Its ability to bind protein substrates through a hydrophobic pocket in the C-terminal domain underscores its significance in cellular mechanisms.
Therapeutic significance:
Understanding the role of Endoplasmic reticulum resident protein 27 could open doors to potential therapeutic strategies.