Focused On-demand Library for Inhibitor of growth protein 3

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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

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

Q9NXR8

UPID:

ING3_HUMAN

Alternative names:

p47ING3

Alternative UPACC:

Q9NXR8; A8K790; O60394; Q567P3; Q6GMT3; Q7Z762; Q969G0; Q96DT4; Q9HC99; Q9P081

Background:

Inhibitor of growth protein 3 (p47ING3) plays a crucial role in chromatin remodeling and transcriptional regulation through its involvement in the NuA4 histone acetyltransferase complex. This complex is essential for acetylation of histones H4 and H2A, which facilitates transcriptional activation of specific genes. p47ING3 is also a part of a SWR1-like complex, important for removing histone H2A.Z from the nucleosome, further influencing DNA repair and gene expression.

Therapeutic significance:

p47ING3's involvement in DNA repair and gene expression regulation makes it a potential target in treating Squamous cell carcinoma of the head and neck. Its role in oncogene and proto-oncogene mediated growth induction and tumor suppressor mediated growth arrest highlights its therapeutic significance in cancer treatment strategies.