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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
Our top-notch dedicated system is used to design specialised 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 distinguishes itself through several key 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.