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.
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 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 top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
A8K7I4
UPID:
CLCA1_HUMAN
Alternative names:
Calcium-activated chloride channel family member 1; Calcium-activated chloride channel protein 1
Alternative UPACC:
A8K7I4; B2RAV5; O95151; Q5TDF4; Q9UNF6; Q9UPC6
Background:
Calcium-activated chloride channel regulator 1, also known as Calcium-activated chloride channel family member 1, plays a pivotal role in calcium-mediated chloride conductance. It is crucial in goblet cell metaplasia, mucus hypersecretion, and cystic fibrosis, regulating mucus production and secretion. Additionally, it contributes to tissue inflammation regulation in the innate immune response and acts as a potential tumor suppressor.
Therapeutic significance:
Understanding the role of Calcium-activated chloride channel regulator 1 could open doors to potential therapeutic strategies, particularly in treating cystic fibrosis, controlling mucus production, and developing anti-inflammatory treatments.