AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Syntaxin-12

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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 employ our advanced, specialised process to create targeted libraries.

 Fig. 1. The sreening 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.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q86Y82

UPID:

STX12_HUMAN

Alternative names:

-

Alternative UPACC:

Q86Y82; B1AJQ7; O95564

Background:

Syntaxin-12 plays a pivotal role in cellular processes by promoting the fusion of transport vesicles with target membranes. It works in tandem with SNARE STX6 to facilitate the movement of vesicles from endosomes to the cell membrane, primarily functioning in the endocytic recycling pathway. Additionally, through its complex formation with GRIP1, GRIA2, and NSG1, Syntaxin-12 is crucial in controlling the intracellular fate of AMPAR and directing the endosomal sorting of the GRIA2 subunit towards recycling and membrane targeting.

Therapeutic significance:

Understanding the role of Syntaxin-12 could open doors to potential therapeutic strategies by elucidating its involvement in vesicle transport and membrane fusion processes, which are critical for cellular homeostasis and signaling.

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