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
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
O95243
UPID:
MBD4_HUMAN
Alternative names:
Methyl-CpG-binding endonuclease 1; Methyl-CpG-binding protein MBD4; Mismatch-specific DNA N-glycosylase
Alternative UPACC:
O95243; B4DZN2; D3DNC3; D3DNC4; E9PEE4; Q2MD36; Q7Z4T3; Q96F09
Background:
Methyl-CpG-binding domain protein 4 (MBD4) plays a crucial role in DNA repair, specifically targeting G:T mismatches within methylated and unmethylated CpG sites. It exhibits thymine glycosylase activity, efficiently correcting DNA errors by removing uracil or 5-fluorouracil in G:U mismatches, without possessing lyase activity. MBD4, also known as Methyl-CpG-binding endonuclease 1 and Mismatch-specific DNA N-glycosylase, is pivotal in maintaining genomic stability.
Therapeutic significance:
MBD4's involvement in tumor predisposition syndrome 2 and uveal melanoma 1 highlights its critical role in cancer development. Understanding the function of MBD4 could pave the way for innovative cancer treatment strategies, focusing on enhancing DNA repair mechanisms to prevent tumor formation and progression.