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 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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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 stands out due to several important features:
partner
Reaxense
upacc
P16455
UPID:
MGMT_HUMAN
Alternative names:
6-O-methylguanine-DNA methyltransferase; O-6-methylguanine-DNA-alkyltransferase
Alternative UPACC:
P16455; Q5VY78
Background:
Methylated-DNA--protein-cysteine methyltransferase, also known as 6-O-methylguanine-DNA methyltransferase or O-6-methylguanine-DNA-alkyltransferase, plays a crucial role in cellular defense. It repairs DNA by transferring the methyl group from O6-methylguanine (O6-MeG) and O4-methylthymine (O4-MeT) to a cysteine residue in the enzyme, a process that inactivates the enzyme.
Therapeutic significance:
Understanding the role of Methylated-DNA--protein-cysteine methyltransferase could open doors to potential therapeutic strategies.