Focused On-demand Library for TANK-binding kinase 1-binding protein 1

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.

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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse 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

A7MCY6

UPID:

TBKB1_HUMAN

Alternative names:

Alternative UPACC:

A7MCY6; B2RZG6; O94873; Q14DW3

Background:

TANK-binding kinase 1-binding protein 1 (TBK1BP1) is a pivotal adapter protein that plays a crucial role in antiviral innate immunity. It achieves this by constitutively binding to TBK1 and IKBKE, which are key players in the immune response against viral infections. This interaction is fundamental for the activation of downstream signaling pathways that lead to the production of interferons and other antiviral molecules.

Therapeutic significance:

Understanding the role of TANK-binding kinase 1-binding protein 1 could open doors to potential therapeutic strategies. Its involvement in the antiviral immune response makes it a promising target for the development of treatments against viral infections. By modulating TBK1BP1's activity, it may be possible to enhance or suppress the immune response, offering new avenues for therapy in diseases where the immune system is compromised or overly active.