AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Nucleobindin-1

Available from Reaxense
Predicted by Alphafold

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.

 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.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q02818

UPID:

NUCB1_HUMAN

Alternative names:

CALNUC

Alternative UPACC:

Q02818; B2RD64; Q15838; Q7Z4J7; Q9BUR1

Background:

Nucleobindin-1, also known as CALNUC, is a pivotal calcium-binding protein localized in the Golgi apparatus. It plays a crucial role in calcium homeostasis, as suggested by similarities with other proteins. Furthermore, Nucleobindin-1 functions as a non-receptor guanine nucleotide exchange factor, activating alpha subunits of G proteins, which are essential for transmitting signals from the cell surface to the inside of the cell.

Therapeutic significance:

Understanding the role of Nucleobindin-1 could open doors to potential therapeutic strategies. Its involvement in calcium homeostasis and G protein activation positions it as a key player in cellular signaling pathways, which are often targeted in drug discovery efforts to treat various diseases.

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