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A Novel Computational Approach for the Discovery of Drug Delivery System Candidates for COVID-19
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A Novel Computational Approach for the Discovery of Drug Delivery System Candidates for COVID-19
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A Novel Computational Approach for the Discovery of Drug Delivery System Candidates for COVID-19
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Journal Article
A Novel Computational Approach for the Discovery of Drug Delivery System Candidates for COVID-19
2021
Overview
In order to treat Coronavirus Disease 2019 (COVID-19), we predicted and implemented a drug delivery system (DDS) that can provide stable drug delivery through a computational approach including a clustering algorithm and the Schrödinger software. Six carrier candidates were derived by the proposed method that could find molecules meeting the predefined conditions using the molecular structure and its functional group positional information. Then, just one compound named glycyrrhizin was selected as a candidate for drug delivery through the Schrödinger software. Using glycyrrhizin, nafamostat mesilate (NM), which is known for its efficacy, was converted into micelle nanoparticles (NPs) to improve drug stability and to effectively treat COVID-19. The spherical particle morphology was confirmed by transmission electron microscopy (TEM), and the particle size and stability of 300–400 nm were evaluated by measuring DLSand the zeta potential. The loading of NM was confirmed to be more than 90% efficient using the UV spectrum.
Publisher
MDPI AG,MDPI
Subject
/ Anti-Inflammatory Agents - chemistry
/ Anti-Inflammatory Agents - therapeutic use
/ Benzamidines - therapeutic use
/ Cell Survival - drug effects
/ Computational Biology - methods
/ COVID-19
/ Drug Delivery Systems - methods
/ Glycyrrhizic Acid - chemistry
/ Glycyrrhizic Acid - therapeutic use
/ Guanidines - therapeutic use
/ Humans
/ Hydrophobic and Hydrophilic Interactions
/ Micelles
