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.
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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q05BQ5
UPID:
MBTD1_HUMAN
Alternative names:
-
Alternative UPACC:
Q05BQ5; Q6ZVU7; Q9NXU1
Background:
MBT domain-containing protein 1 (MBTD1) is a crucial chromatin reader within the NuA4 histone acetyltransferase complex, playing a pivotal role in transcriptional activation by acetylating nucleosomal histones H4 and H2A. This protein is instrumental in DNA double-strand break repair through homologous recombination, facilitated by its ability to recognize and bind to monomethylated and dimethylated Lys-20 on histone H4.
Therapeutic significance:
Understanding the role of MBT domain-containing protein 1 could open doors to potential therapeutic strategies.