Focused On-demand Library for Biogenesis of lysosome-related organelles complex 1 subunit 6

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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by 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 use our state-of-the-art dedicated workflow for designing focused libraries.


 

Fig. 1. The screening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast 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
Receptor.AI
 
UPACC
Q9UL45

UPID:
BL1S6_HUMAN

ALTERNATIVE NAMES:
Pallid protein homolog; Pallidin; Syntaxin 13-interacting protein

ALTERNATIVE UPACC:
Q9UL45

BACKGROUND:
The protein Pallidin, integral to the BLOC-1 complex, is pivotal in the normal biogenesis of lysosome-related organelles such as melanosomes and platelet dense granules. It works alongside the AP-3 complex to ensure proper membrane protein cargo targeting, playing a significant role in intracellular vesicle trafficking and neurite growth.

THERAPEUTIC SIGNIFICANCE:
Given Pallidin's involvement in Hermansky-Pudlak syndrome 9, characterized by significant clinical manifestations including pulmonary fibrosis, its study offers a promising avenue for therapeutic intervention. Understanding the role of Pallidin could open doors to potential therapeutic strategies.

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