Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 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.
We utilise our cutting-edge, exclusive workflow to develop focused 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
O95985
UPID:
TOP3B_HUMAN
Alternative names:
DNA topoisomerase III beta-1
Alternative UPACC:
O95985; A0M8Q3; Q9BUP5
Background:
DNA topoisomerase 3-beta-1 plays a crucial role in DNA replication and transcription by alleviating supercoiling and torsional tension. It achieves this through a unique mechanism that involves transiently cleaving and rejoining one strand of the DNA duplex, thereby facilitating the proper segregation of DNA strands. This enzyme's ability to introduce single-strand breaks and subsequently reseal them is vital for maintaining DNA integrity and stability.
Therapeutic significance:
Understanding the role of DNA topoisomerase 3-beta-1 could open doors to potential therapeutic strategies. Its critical function in DNA replication and maintenance positions it as a key target for developing drugs aimed at treating genetic disorders and enhancing genomic stability.