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.
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.
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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9Y265
UPID:
RUVB1_HUMAN
Alternative names:
49 kDa TATA box-binding protein-interacting protein; 54 kDa erythrocyte cytosolic protein; INO80 complex subunit H; Nuclear matrix protein 238; Pontin 52; TIP49a; TIP60-associated protein 54-alpha
Alternative UPACC:
Q9Y265; B2R5S0; P82276; Q1KMR0; Q53HK5; Q53HL7; Q53Y27; Q9BSX9
Background:
RuvB-like 1, known by alternative names such as TIP49a and Pontin 52, is a multifunctional protein involved in DNA repair, transcriptional activation, and cell proliferation. It exhibits ATPase and DNA helicase activities, essential for its role in the NuA4 histone acetyltransferase complex, contributing to the acetylation of nucleosomal histones H4 and H2A. This modification facilitates transcriptional activation and DNA repair. Additionally, RuvB-like 1 is a core component of the INO80 complex, playing a crucial role in nucleosome remodeling.
Therapeutic significance:
Understanding the role of RuvB-like 1 could open doors to potential therapeutic strategies.