Focused On-demand Library for Synaptobrevin homolog YKT6

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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.