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.
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 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 employ our advanced, specialised process to create targeted libraries for receptors.
Fig. 1. The sreening workflow of Receptor.AI
The method involves detailed molecular simulations of the receptor in its native membrane environment, with ensemble virtual screening focusing on its conformational mobility. When dealing with dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets on and between the subunits are established to address all possible mechanisms of action.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P11473
UPID:
VDR_HUMAN
Alternative names:
1,25-dihydroxyvitamin D3 receptor; Nuclear receptor subfamily 1 group I member 1
Alternative UPACC:
P11473; B2R5Q1; G3V1V9; Q5PSV3
Background:
The Vitamin D3 receptor, also known as the 1,25-dihydroxyvitamin D3 receptor or Nuclear receptor subfamily 1 group I member 1, is a pivotal nuclear receptor that mediates the effects of vitamin D3. It functions by binding to vitamin D3, entering the nucleus, and forming heterodimers with the retinoid X receptor. These complexes then bind to DNA, activating the transcription of genes involved in calcium homeostasis and response to vitamin D3.
Therapeutic significance:
The Vitamin D3 receptor plays a crucial role in Rickets vitamin D-dependent 2A, a disorder characterized by severe rickets, hypocalcemia, and secondary hyperparathyroidism, often accompanied by total alopecia. Understanding the role of the Vitamin D3 receptor could open doors to potential therapeutic strategies for this and related disorders.