Focused On-demand Library for Synaptobrevin homolog YKT6

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

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 utilise our cutting-edge, exclusive workflow to develop focused 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 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

O15498

UPID:

YKT6_HUMAN

Alternative names:

Alternative UPACC:

O15498; B4DR94; Q53F01; Q6FGU9; Q6IB15

Background:

Synaptobrevin homolog YKT6, encoded by the gene with accession number O15498, plays a pivotal role in cellular transport mechanisms. It acts as a vesicular soluble NSF attachment protein receptor (v-SNARE), facilitating vesicle docking and fusion to specific cellular compartments. YKT6 is integral in endoplasmic reticulum to Golgi transport within a SNARE complex including GOSR1, GOSR2, and STX5. Additionally, it participates in early/recycling endosome to TGN transport in a complex with BET1L, GOSR1, and STX5. YKT6 also exhibits S-palmitoyl transferase activity, indicating its involvement in lipid modification processes.

Therapeutic significance:

Understanding the role of Synaptobrevin homolog YKT6 could open doors to potential therapeutic strategies. Its critical function in vesicular transport and membrane fusion underscores its potential as a target in diseases where these processes are dysregulated.