Focused On-demand Library for Kinesin-1 heavy chain

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.

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 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

P33176

UPID:

KINH_HUMAN

Alternative names:

Conventional kinesin heavy chain; Ubiquitous kinesin heavy chain

Alternative UPACC:

P33176; A0AVB2; Q5VZ85

Background:

Kinesin-1 heavy chain, also known as Conventional kinesin heavy chain or Ubiquitous kinesin heavy chain, plays a pivotal role in cellular dynamics. It is essential for the normal distribution of mitochondria and lysosomes, and it facilitates the formation of neurite-like membrane protrusions. This protein is crucial for centrosome and nuclear positioning during mitotic entry and is involved in anterograde axonal transportation of MAPK8IP3/JIP3, vital for axon elongation. Additionally, it plays a significant role in NK cell-mediated cytotoxicity by driving the polarization of cytolytic granules and MTOCs toward the immune synapse.

Therapeutic significance:

Understanding the role of Kinesin-1 heavy chain could open doors to potential therapeutic strategies.