Focused On-demand Library for Alpha-synuclein

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 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 employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

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

P37840

UPID:

SYUA_HUMAN

Alternative names:

Non-A beta component of AD amyloid; Non-A4 component of amyloid precursor

Alternative UPACC:

P37840; A8K2A4; Q13701; Q4JHI3; Q6IAU6

Background:

Alpha-synuclein, known also as Non-A beta component of AD amyloid or Non-A4 component of amyloid precursor, plays pivotal roles in synaptic activity. It regulates synaptic vesicle trafficking, neurotransmitter release, and acts as a molecular chaperone for SNAREs, crucial for synaptic fusion. Additionally, it modulates dopamine neurotransmission, associating with the dopamine transporter.

Therapeutic significance:

Alpha-synuclein's malfunction is linked to neurodegenerative disorders such as Parkinson disease 1 and 4, and Dementia with Lewy bodies. These associations highlight its critical role in the pathology of these diseases, suggesting that targeting alpha-synuclein could offer novel therapeutic avenues for treating such debilitating conditions.