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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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.
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
Q92831
UPID:
KAT2B_HUMAN
Alternative names:
Histone acetyltransferase PCAF; Lysine acetyltransferase 2B; P300/CBP-associated factor; Spermidine acetyltransferase KAT2B
Alternative UPACC:
Q92831; Q6NSK1
Background:
Histone acetyltransferase KAT2B, also known as PCAF and lysine acetyltransferase 2B, plays a pivotal role in transcriptional activation by acetylating core histones H3 and H4, and nucleosome core particles. Beyond histones, KAT2B targets non-histone proteins such as ACLY, MAPRE1/EB1, and TBX5, influencing cellular processes from cell-cycle progression to heart and limb development. Its activity extends to circadian rhythm regulation and response to HIV-1 infection.
Therapeutic significance:
Understanding the role of Histone acetyltransferase KAT2B could open doors to potential therapeutic strategies.