Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
Our high-tech, dedicated method is applied to construct targeted 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 stands out due to several important features:
partner
Reaxense
upacc
P49914
UPID:
MTHFS_HUMAN
Alternative names:
5,10-methenyl-tetrahydrofolate synthetase
Alternative UPACC:
P49914; H3BQ75
Background:
5-formyltetrahydrofolate cyclo-ligase, also known as 5,10-methenyl-tetrahydrofolate synthetase, plays a crucial role in tetrahydrofolate metabolism. It regulates carbon flow through the folate-dependent one-carbon metabolic network, essential for the biosynthesis of purines, thymidine, and amino acids. This protein catalyzes the conversion of 5-formyltetrahydrofolate to 5,10-methenyltetrahydrofolate, a key reaction in cellular metabolism.
Therapeutic significance:
The protein is linked to a neurodevelopmental disorder characterized by microcephaly, epilepsy, and hypomyelination, suggesting its pivotal role in brain development and function. Understanding the role of 5-formyltetrahydrofolate cyclo-ligase could open doors to potential therapeutic strategies for treating such neurological conditions.