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.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

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.