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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing focused 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q96MB7
UPID:
HARB1_HUMAN
Alternative names:
Harbinger transposase-derived nuclease
Alternative UPACC:
Q96MB7; D3DQP9
Background:
The Putative nuclease HARBI1, also known as Harbinger transposase-derived nuclease, is a protein that may exhibit nuclease activity, potentially contributing to DNA repair and replication processes. Despite its origins from transposase elements, it lacks transposase activity.
Therapeutic significance:
Understanding the role of Putative nuclease HARBI1 could open doors to potential therapeutic strategies, offering insights into novel approaches for treating diseases linked to DNA damage and repair mechanisms.