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.
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.
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 high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P78549
UPID:
NTH_HUMAN
Alternative names:
Bifunctional DNA N-glycosylase/DNA-(apurinic or apyrimidinic site) lyase
Alternative UPACC:
P78549; Q1MVR1; Q99566; Q99794; Q9BPX2
Background:
Endonuclease III-like protein 1, also known as a bifunctional DNA N-glycosylase/DNA-(apurinic or apyrimidinic site) lyase, plays a pivotal role in the base excision repair (BER) pathway. This protein is essential for repairing oxidative DNA damage, primarily focusing on pyrimidine bases and 8-oxo-7,8-dihydroguanine (8-oxoG), crucial for maintaining genomic stability.
Therapeutic significance:
Given its role in repairing DNA damage, Endonuclease III-like protein 1 is directly linked to Familial adenomatous polyposis 3, a condition leading to colorectal adenomas and potentially carcinoma. Targeting this protein could offer novel therapeutic avenues for treating or managing this genetic disorder.