AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Vesicle-associated membrane protein 2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our top-notch dedicated system is used to design specialised libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

P63027

UPID:

VAMP2_HUMAN

Alternative names:

Synaptobrevin-2

Alternative UPACC:

P63027; P19065; Q9BUC2

Background:

Vesicle-associated membrane protein 2 (VAMP2), also known as Synaptobrevin-2, plays a pivotal role in the nervous system. It is crucial for the targeting and fusion of transport vesicles to their target membrane, facilitating the release of neurotransmitters through synaptic vesicles. This process is essential for rapid neurotransmitter release and synaptic vesicle reuse, underscored by its modulation of the KCNB1 potassium channel.

Therapeutic significance:

VAMP2 is linked to a neurodevelopmental disorder characterized by hypotonia, developmental delay, intellectual disability, seizures, and autistic features, sometimes accompanied by hyperkinetic movements. Understanding the role of VAMP2 could open doors to potential therapeutic strategies for this disorder.

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