Focused On-demand Library for Chromodomain-helicase-DNA-binding protein 5

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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q8TDI0

UPID:

CHD5_HUMAN

Alternative names:

ATP-dependent helicase CHD5

Alternative UPACC:

Q8TDI0; O75032; Q5TG89; Q7LGH2; Q9UFR9

Background:

Chromodomain-helicase-DNA-binding protein 5 (CHD5) is a pivotal chromatin-remodeling protein that plays a crucial role in gene transcription regulation. It binds DNA through histones, recognizing specific methylation patterns on histone H3, such as trimethylated 'Lys-27' and non-methylated 'Lys-4'. CHD5 is a component of the NuRD complex, influencing chromatin structure and contributing to nervous system development by activating neuron differentiation genes while repressing non-neuronal lineage genes.

Therapeutic significance:

CHD5's involvement in Parenti-Mignot neurodevelopmental syndrome, characterized by intellectual disability and epilepsy, underscores its therapeutic potential. Understanding CHD5's role could open doors to novel strategies for treating neurodevelopmental disorders.