Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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.
Our top-notch dedicated system is used to design specialised 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.
Key features that set our library apart include:
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.