Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We utilise our cutting-edge, exclusive workflow to develop focused 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
Q9NUW8
UPID:
TYDP1_HUMAN
Alternative names:
-
Alternative UPACC:
Q9NUW8; Q2HXX4; Q86TV8; Q96BK7; Q9NZM7; Q9NZM8
Background:
Tyrosyl-DNA phosphodiesterase 1 plays a crucial role in DNA repair, removing a variety of covalent adducts through hydrolysis. It acts on DNA double-strand breaks and single-stranded DNA, essential for maintaining genomic stability.
Therapeutic significance:
Given its pivotal role in DNA repair, Tyrosyl-DNA phosphodiesterase 1 is linked to Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy 1. Targeting this protein could lead to novel treatments for this and potentially other neurodegenerative diseases.