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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
O75762
UPID:
TRPA1_HUMAN
Alternative names:
Ankyrin-like with transmembrane domains protein 1; Transformation-sensitive protein p120; Wasabi receptor
Alternative UPACC:
O75762; A6NIN6
Background:
Transient receptor potential cation channel subfamily A member 1 (TRPA1), also known as the Wasabi receptor, plays a pivotal role in detecting environmental irritants and endogenous inflammatory signals, leading to pain perception. It is activated by various compounds, including those from mustard oil, garlic, and vehicle exhaust, and shows a preference for divalent over monovalent cations. TRPA1's involvement in cold perception, oxygen sensing, and inner ear function highlights its broad physiological significance.
Therapeutic significance:
The association of TRPA1 with familial episodic pain syndrome underscores its therapeutic potential. Targeting TRPA1 could offer relief for patients suffering from this debilitating condition, emphasizing the importance of understanding its function for developing novel pain management strategies.