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.
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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted 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
Q8NER1
UPID:
TRPV1_HUMAN
Alternative names:
Capsaicin receptor; Osm-9-like TRP channel 1; Vanilloid receptor 1
Alternative UPACC:
Q8NER1; A2RUA9; Q3LU47; Q9H0G9; Q9H303; Q9H304; Q9NQ74; Q9NY22
Background:
Transient receptor potential cation channel subfamily V member 1 (TRPV1), also known as the capsaicin receptor or vanilloid receptor 1, plays a pivotal role in sensing noxious stimuli. It functions as a ligand-activated, non-selective calcium permeant cation channel, crucial for detecting chemical and thermal stimuli. Activation by vanilloids, such as capsaicin, and temperatures above 42 degrees Celsius, underscores its significance in pain perception and neuroplasticity.
Therapeutic significance:
Understanding the role of Transient receptor potential cation channel subfamily V member 1 could open doors to potential therapeutic strategies. Its involvement in inflammatory pain, hyperalgesia, and modulation by endocannabinoids highlights its therapeutic potential in pain management and neurological disorders.