Focused On-demand Library for Putative histone-lysine N-methyltransferase PRDM6

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.

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

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9NQX0

UPID:

PRDM6_HUMAN

Alternative names:

PR domain zinc finger protein 6; PR domain-containing protein 6

Alternative UPACC:

Q9NQX0; B5MCJ4; Q9NQW9

Background:

Putative histone-lysine N-methyltransferase PRDM6, also known as PR domain zinc finger protein 6, plays a crucial role in vascular smooth muscle cells by promoting their transition from a differentiated state to a proliferative one. It acts as a transcriptional repressor, influencing smooth muscle gene expression and endothelial cell functions by inhibiting proliferation, survival, and differentiation. The protein's ability to methylate 'Lys-20' of histone H4, marking it for epigenetic transcriptional repression, is a subject of scientific debate.

Therapeutic significance:

PRDM6's involvement in Patent ductus arteriosus 3, a congenital heart defect, underscores its potential as a target for therapeutic intervention. Understanding the role of PRDM6 could open doors to potential therapeutic strategies for cardiovascular diseases.