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.
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 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9NRG4
UPID:
SMYD2_HUMAN
Alternative names:
HSKM-B; Histone methyltransferase SMYD2; Lysine N-methyltransferase 3C; SET and MYND domain-containing protein 2
Alternative UPACC:
Q9NRG4; B2R9P9; I6L9H7; Q4V765; Q5VSH9; Q96AI4
Background:
N-lysine methyltransferase SMYD2, also known as Histone methyltransferase SMYD2, plays a pivotal role in epigenetic regulation through its protein-lysine N-methyltransferase activity. It specifically targets histone H3 'Lys-4' for trimethylation, a process essential for chromatin structure and gene expression. Additionally, SMYD2 modifies non-histone proteins such as p53/TP53 and RB1, influencing DNA-binding activity and transcriptional regulation.
Therapeutic significance:
Understanding the role of N-lysine methyltransferase SMYD2 could open doors to potential therapeutic strategies. Its ability to modulate key proteins like p53/TP53 and RB1, central to cell cycle regulation and tumor suppression, highlights its potential as a target in cancer therapy.