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ChemScan: A computational platform for drug selection in platelet-mediated delivery
Nikita Pron1, Mariia Naumenko1, Anastasiya Konokhova1
1Research Center for Translational Medicine, Sirius University of Science and Technology, 354340 Sirius, Russia.
Computational Biology and Chemistry
|August 10, 2026
Summary
Researchers developed ChemScan, a web platform to identify drugs suitable for platelet-mediated delivery. It screens compounds based on their ability to accumulate in platelet granules, aiding targeted therapy development.
Area of Science:
- Biomedical Engineering
- Pharmacology
- Drug Delivery Systems
Background:
- Platelet-mediated drug delivery shows promise for targeted therapies in oncology and cardiovascular diseases.
- A significant barrier to clinical use is the absence of methods to identify drugs efficiently loaded into and released by platelets.
- Platelet secretory granules are natural reservoirs for drug storage and release, crucial for this delivery strategy.
Purpose of the Study:
- To determine the key factors influencing drug accumulation in platelet secretory granules.
- To develop a computational tool for screening drugs based on their suitability for platelet-mediated delivery.
- To facilitate the identification of novel therapeutic agents for targeted delivery via platelets.
Main Methods:
- Investigated drug accumulation in platelet granules based on protonation and acidic environments.
- Validated the mechanism using fluorescent dyes with defined acid-base properties.
- Developed ChemScan, an interactive web platform with a database of 2063 drugs, physicochemical properties (pKa, logP), and the DyeLeS score for fluorescence-based assessment.
Main Results:
- Drug accumulation in granules is driven by protonation in the acidic environment, enhancing retention.
- ChemScan successfully integrates drug properties and enables rapid screening.
- The DyeLeS score provides an experimental likelihood metric for intracellular visualization.
Conclusions:
- Drug accumulation in platelet granules, governed by acid-base properties, is key for effective platelet-mediated delivery.
- ChemScan serves as a practical decision-support tool for researchers in drug delivery and repurposing.
- The platform aids in designing platelet-mediated systems and experimental validation, potentially supporting lysosomotropic drug research.