Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9UHA7
UPID:
IL36A_HUMAN
Alternative names:
FIL1 epsilon; Interleukin-1 epsilon; Interleukin-1 family member 6
Alternative UPACC:
Q9UHA7; B2RAD9; Q53SR7; Q5BLR4; Q7RTZ8
Background:
Interleukin-36 alpha, also known as FIL1 epsilon, plays a crucial role in the body's immune response. It activates key signaling pathways such as NF-kappa-B and MAPK, driving pro-inflammatory responses. This cytokine operates within the IL-36 signaling system, akin to the IL-1 system, and primarily acts on epithelial barriers. It influences various cell types including keratinocytes, dendritic cells, and T-cells, promoting tissue infiltration, cell maturation, and proliferation.
Therapeutic significance:
Understanding the role of Interleukin-36 alpha could open doors to potential therapeutic strategies. Its involvement in skin inflammatory responses and the modulation of immune cells highlights its potential as a target for treating inflammatory diseases.