Focused On-demand Library for C-Jun-amino-terminal kinase-interacting protein 3

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We use our state-of-the-art dedicated workflow for designing focused 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 distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9UPT6

UPID:

JIP3_HUMAN

Alternative names:

JNK MAP kinase scaffold protein 3; Mitogen-activated protein kinase 8-interacting protein 3

Alternative UPACC:

Q9UPT6; A2A2B3; A7E2B3; Q96RY4; Q9H4I4; Q9H7P1; Q9NUG0

Background:

C-Jun-amino-terminal kinase-interacting protein 3, also known as JNK MAP kinase scaffold protein 3, plays a pivotal role in neuronal development and regeneration. It orchestrates JNK signaling, essential for axon elongation, by aggregating MAPK cascade components. This protein also facilitates vesicle transport and cortical neuronal migration by interacting with motor proteins and mediating NTRK2/TRKB transport.

Therapeutic significance:

The protein is linked to a neurodevelopmental disorder characterized by developmental delays, speech impairments, and brain anomalies. Understanding the role of C-Jun-amino-terminal kinase-interacting protein 3 could open doors to potential therapeutic strategies for treating such neurological conditions.