Focused On-demand Library for Protein DBF4 homolog B

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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We use our state-of-the-art dedicated workflow for designing focused 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.

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

Q8NFT6

UPID:

DBF4B_HUMAN

Alternative names:

Activator of S phase kinase-like protein 1; Chiffon homolog B; Dbf4-related factor 1

Alternative UPACC:

Q8NFT6; D3DX56; Q8TEX0; Q96B19; Q9H912

Background:

Protein DBF4 homolog B, also known as Activator of S phase kinase-like protein 1, Chiffon homolog B, and Dbf4-related factor 1, plays a pivotal role in DNA replication and cell proliferation. It functions as a regulatory subunit for CDC7, activating its kinase activity. This activation is crucial for the progression of S and M phases of the cell cycle, where the CDC7-DBF4B complex specifically phosphorylates the MCM2 subunit at Ser-40, regulating the initiation of DNA replication.

Therapeutic significance:

Understanding the role of Protein DBF4 homolog B could open doors to potential therapeutic strategies, particularly in diseases where cell proliferation is dysregulated.