Focused On-demand Library for Kinesin-like protein KIF3B

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of 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

O15066

UPID:

KIF3B_HUMAN

Alternative names:

HH0048; Microtubule plus end-directed kinesin motor 3B

Alternative UPACC:

O15066; B2RMP4; B4DSR5; E1P5M5

Background:

Kinesin-like protein KIF3B, also known as HH0048 and Microtubule plus end-directed kinesin motor 3B, is a microtubule-based molecular motor. It plays a crucial role in transporting intracellular cargos, such as vesicles, organelles, and protein complexes, by utilizing ATP hydrolysis. KIF3B is instrumental in cilia formation and maintaining photoreceptor integrity, specifically in rod photoreceptors, and facilitates the trafficking of vesicles containing NMDA receptor subunit GRIN2A into neuronal dendrites.

Therapeutic significance:

Given its involvement in Retinitis pigmentosa 89, a retinal dystrophy characterized by night vision blindness and loss of midperipheral visual field, Kinesin-like protein KIF3B presents a promising target for therapeutic intervention. Understanding the role of Kinesin-like protein KIF3B could open doors to potential therapeutic strategies for treating not only retinal dystrophies but also related ciliopathies.