Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
O14929
UPID:
HAT1_HUMAN
Alternative names:
Histone acetyltransferase 1
Alternative UPACC:
O14929; Q49A44; Q53QF0; Q53SU4; Q6P594; Q8WWB9
Background:
Histone acetyltransferase type B catalytic subunit, also known as Histone acetyltransferase 1, is pivotal in cell cycle progression, glucose metabolism, histone production, and DNA damage repair. It acetylates histone H4 at 'Lys-5' and 'Lys-12', and to a lesser extent, histone H2A at 'Lys-5', facilitating chromatin replication and acetylation. Its role in S-phase entry, progression, and promoting homologous recombination in DNA repair underscores its importance in cellular functions.
Therapeutic significance:
Understanding the role of Histone acetyltransferase type B catalytic subunit could open doors to potential therapeutic strategies.