Focused On-demand Library for MYND-type zinc finger-containing chromatin reader ZMYND8

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

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 high-tech, dedicated method is applied to construct targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse 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

Q9ULU4

UPID:

ZMYD8_HUMAN

Alternative names:

Cutaneous T-cell lymphoma-associated antigen se14-3; Protein kinase C-binding protein 1; Rack7; Transcription coregulator ZMYND8; Zinc finger MYND domain-containing protein 8

Alternative UPACC:

Q9ULU4; B3KVL2; B7Z2A8; B7Z3E0; B7Z680; B7ZM62; E1P5U5; F5H0X3; H7C0U2; J3KPU3; Q13517; Q2HXV1; Q2HXV2; Q2HXV3; Q2HXV4; Q2HXV7; Q2HXV8; Q2HXV9; Q2HXW0; Q2HXW1; Q2HXW2; Q4JJ94; Q4JJ95; Q5TH09; Q5TH11; Q6MZM1; Q8WXC5; Q9H1F3; Q9H1F4; Q9H1F5; Q9H1L8; Q9H1L9; Q9H2G5; Q9NYN3; Q9UIX6

Background:

ZMYND8, known for its roles as a chromatin reader and transcriptional corepressor, interacts with histone modifications to influence gene expression. It recognizes specific dual histone marks, such as H3.1K36me2-H4K16ac, playing a pivotal role in transcriptional repression, DNA damage repair, and transcription elongation. ZMYND8's involvement in neuronal differentiation and the regulation of ATRA-responsive genes underscores its multifunctional nature.

Therapeutic significance:

Understanding the role of ZMYND8 could open doors to potential therapeutic strategies. Its ability to modulate gene expression and participate in critical cellular processes like DNA repair and neuronal differentiation highlights its potential as a target in developing treatments for diseases where these pathways are disrupted.