Focused On-demand Library for Terminal nucleotidyltransferase 4B

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.

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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our top-notch dedicated system is used to design specialised 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

Q8NDF8

UPID:

PAPD5_HUMAN

Alternative names:

Non-canonical poly(A) RNA polymerase PAPD5; PAP-associated domain-containing protein 5; Terminal guanylyltransferase; Terminal uridylyltransferase 3; Topoisomerase-related function protein 4-2

Alternative UPACC:

Q8NDF8; B4DV38; Q9NW67; Q9Y6C0

Background:

Terminal nucleotidyltransferase 4B, known as Non-canonical poly(A) RNA polymerase PAPD5, plays a crucial role in RNA stability and regulation. It catalyzes the addition of ATP and GTP to RNA 3' poly(A) tails, enhancing mRNA stabilization and participating in post-transcriptional quality control. This enzyme is pivotal in carbohydrate metabolism mRNA polyadenylation, histone mRNA degradation, and microRNA MIR21 regulation, showcasing its broad impact on gene expression.

Therapeutic significance:

Understanding the role of Terminal nucleotidyltransferase 4B could open doors to potential therapeutic strategies. Its involvement in mRNA stabilization, carbohydrate metabolism, and microRNA regulation presents it as a key target for modulating gene expression in various diseases.