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.
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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
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 in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9H1D0
UPID:
TRPV6_HUMAN
Alternative names:
CaT-like; Calcium transport protein 1; Epithelial calcium channel 2
Alternative UPACC:
Q9H1D0; A4D2I8; Q8TDL3; Q8WXR8; Q96LC5; Q9H1D1; Q9H296
Background:
Transient receptor potential cation channel subfamily V member 6 (TRPV6), also known as Calcium transport protein 1 and Epithelial calcium channel 2, plays a pivotal role in calcium uptake in various tissues, including the intestine. It is crucial for maintaining normal calcium ion homeostasis in the body, affecting bone and skin health. TRPV6 is activated by low internal calcium levels and exhibits inward rectification, with its activity modulated by calcium, calmodulin, and possibly phosphorylation.
Therapeutic significance:
TRPV6's involvement in Hyperparathyroidism, transient neonatal, a condition marked by impaired calcium transport and metabolic bone disease, underscores its potential as a therapeutic target. Understanding the role of TRPV6 could open doors to potential therapeutic strategies for managing calcium-related disorders.