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

Focused On-demand Libraries - Receptor.AI 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 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 Reaxense.


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 employ our advanced, specialised process to create targeted libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive 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
Receptor.AI
 
UPACC
P63027

UPID:
VAMP2_HUMAN

ALTERNATIVE NAMES:
Synaptobrevin-2

ALTERNATIVE UPACC:
P63027; P19065; Q9BUC2

BACKGROUND:
The protein Vesicle-associated membrane protein 2, or Synaptobrevin-2, is integral to synaptic vesicle exocytosis and neurotransmitter release. It ensures the efficient fusion of synaptic vesicles with the target membrane, a process vital for fast neurotransmitter communication and synaptic plasticity. VAMP2's role extends to modulating the activity of the voltage-dependent potassium channel KCNB1, highlighting its importance in neuronal activity regulation.

THERAPEUTIC SIGNIFICANCE:
Linked to a specific neurodevelopmental disorder, VAMP2's dysfunction manifests as hypotonia, global developmental delay, and autistic features, among other symptoms. Targeting VAMP2's pathway offers a promising avenue for developing treatments for this and potentially other related neurological conditions.

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