Focused On-demand Library for E3 SUMO-protein ligase ZBED1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

O96006

UPID:

ZBED1_HUMAN

Alternative names:

DNA replication-related element-binding factor; Putative Ac-like transposable element; Zinc finger BED domain-containing protein 1; dREF homolog

Alternative UPACC:

O96006; Q96BY4

Background:

E3 SUMO-protein ligase ZBED1, also known as DNA replication-related element-binding factor, plays a pivotal role in cellular processes by sumoylating CHD3/Mi2-alpha, which leads to its release from DNA. This action facilitates the suppression of CHD3/Mi2-alpha transcription repression, enhancing RNA polymerase II recruitment to gene promoters. Consequently, it boosts transcription of critical proteins like H1-5 and ribosomal proteins such as RPS6, RPL10A, and RPL12, driving cell proliferation. Additionally, ZBED1 binds to specific consensus sequences in gene promoters and exhibits a unique interaction with human adenovirus gene promoters during infection.

Therapeutic significance:

Understanding the role of E3 SUMO-protein ligase ZBED1 could open doors to potential therapeutic strategies.