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 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
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q969P6
UPID:
TOP1M_HUMAN
Alternative names:
-
Alternative UPACC:
Q969P6; B7ZAR5; E7ES89; Q86ST4; Q86V82
Background:
DNA topoisomerase I, mitochondrial, plays a crucial role in mitochondrial DNA replication. It alleviates supercoiling and torsional tension by making transient single-strand breaks in the DNA. This process is essential for the proper functioning and maintenance of mitochondrial DNA, highlighting the enzyme's pivotal role in cellular energy production and genomic stability.
Therapeutic significance:
Understanding the role of DNA topoisomerase I, mitochondrial could open doors to potential therapeutic strategies. Its critical function in mitochondrial DNA replication and maintenance positions it as a key target for interventions aimed at diseases linked to mitochondrial dysfunction.