Focused On-demand Library for Vacuolar protein sorting-associated protein 16 homolog

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

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.

We employ our advanced, specialised process to create targeted 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.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9H269

UPID:

VPS16_HUMAN

Alternative names:

Alternative UPACC:

Q9H269; Q5JUB1; Q8WU31; Q96EE7; Q96N92; Q9H1Q4; Q9H1Q5

Background:

Vacuolar protein sorting-associated protein 16 homolog (VPS16) is crucial for vesicle-mediated protein trafficking to lysosomal compartments, including endocytic membrane transport and autophagic pathways. It acts as a core component of the HOPS and CORVET endosomal tethering complexes, facilitating the Rab5-to-Rab7 endosome conversion, essential for membrane fusion processes.

Therapeutic significance:

VPS16's involvement in Dystonia 30, a disorder characterized by sustained involuntary muscle contraction, highlights its potential as a therapeutic target. Understanding VPS16's role could open doors to novel strategies for treating not only Dystonia 30 but also other neurocognitive and psychiatric manifestations associated with this protein.