Focused On-demand Library for Protein kinase C and casein kinase substrate in neurons 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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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.

We utilise our cutting-edge, exclusive workflow to develop 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q9BY11

UPID:

PACN1_HUMAN

Alternative names:

Syndapin-1

Alternative UPACC:

Q9BY11; Q9P2G8

Background:

Protein kinase C and casein kinase substrate in neurons protein 1, also known as Syndapin-1, is pivotal in the reorganization of the microtubule and actin cytoskeletons. It interacts with MAPT to modulate microtubule stability and polymerization. Additionally, it plays a crucial role in cellular transport by recruiting DNM1, DNM2, and DNM3 to membranes, and in neuron morphogenesis through interactions with COBL and WASL. This protein is essential for synaptic vesicle endocytosis, ensuring neurotransmission continuity by recycling neurotransmitters.

Therapeutic significance:

Understanding the role of Protein kinase C and casein kinase substrate in neurons protein 1 could open doors to potential therapeutic strategies.