Focused On-demand Library for Histone-binding protein RBBP7

Focused On-demand Libraries - Reaxense Collaboration

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 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.

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.

We use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q16576

UPID:

RBBP7_HUMAN

Alternative names:

Histone acetyltransferase type B subunit 2; Nucleosome-remodeling factor subunit RBAP46; Retinoblastoma-binding protein 7; Retinoblastoma-binding protein p46

Alternative UPACC:

Q16576; Q5JP00

Background:

Histone-binding protein RBBP7, also known as Histone acetyltransferase type B subunit 2, plays a pivotal role in chromatin remodeling and gene expression regulation. It is a core component of several key complexes, including the type B histone acetyltransferase (HAT) complex, essential for chromatin assembly post-DNA replication, and the core histone deacetylase (HDAC) complex, which facilitates transcriptional repression through histone deacetylation.

Therapeutic significance:

Understanding the role of Histone-binding protein RBBP7 could open doors to potential therapeutic strategies. Its involvement in chromatin metabolism and gene expression regulation makes it a promising target for developing treatments that modulate gene expression.