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.
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
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P14174
UPID:
MIF_HUMAN
Alternative names:
Glycosylation-inhibiting factor; L-dopachrome isomerase; L-dopachrome tautomerase; Phenylpyruvate tautomerase
Alternative UPACC:
P14174; A5Z1R8; B2R4S3; Q2V4Y5; Q6FHV0
Background:
Macrophage migration inhibitory factor (MIF) is a pivotal cytokine in the innate immune response, known for its roles in inflammation and host defense. It exhibits unique enzymatic activities, such as phenylpyruvate tautomerase and dopachrome tautomerase, though their physiological relevance remains to be fully elucidated. MIF's expression in inflammatory sites underscores its significance in modulating macrophage function.
Therapeutic significance:
MIF's involvement in Rheumatoid arthritis systemic juvenile, a severe inflammatory disorder, highlights its potential as a therapeutic target. Understanding MIF's role could pave the way for innovative treatments, particularly for autoimmune diseases where inflammation plays a critical role.