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In vitro toxicity assessment and enhanced drug solubility profile of green deep eutectic solvent derivatives (DESDs) combined with theoretical validation

Green solvents are actively taking over as the absolute replacement of intrinsic toxic volatile organic solvents. This is conspicuously analyzed in this study, which mentions the preparation of green deep eutectic solvent derivatives (DESDs) composed of choline chloride (ChCl) as the hydrogen bond a...

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Autores principales: Jangir, Anil Kumar, Lad, Bhoomi, Dani, Unnati, Shah, Nehal, Kuperkar, Ketan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9055130/
https://www.ncbi.nlm.nih.gov/pubmed/35517343
http://dx.doi.org/10.1039/c9ra10320a
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author Jangir, Anil Kumar
Lad, Bhoomi
Dani, Unnati
Shah, Nehal
Kuperkar, Ketan
author_facet Jangir, Anil Kumar
Lad, Bhoomi
Dani, Unnati
Shah, Nehal
Kuperkar, Ketan
author_sort Jangir, Anil Kumar
collection PubMed
description Green solvents are actively taking over as the absolute replacement of intrinsic toxic volatile organic solvents. This is conspicuously analyzed in this study, which mentions the preparation of green deep eutectic solvent derivatives (DESDs) composed of choline chloride (ChCl) as the hydrogen bond acceptor (HBA) and two acids, viz., oxalic acid (OX) and citric acid (CA) as preliminary hydrogen bond donors (HBDs) with ethylene glycol (EG) and glycerol (GLY) as secondary HBDs in an equimolar ratio. This study exposes the vigilant choice of the type and mole ratio of HBA and HBDs, which permit the extended stability of the formulated DESDs in the liquid state even below the room temperature. The prepared DESDs were well-characterized by FT-IR spectroscopy. Furthermore, this work aimed at investigating their antimicrobial activity towards selected bacterial and fungal strains expressed in terms of viscosity measurements. The in vitro toxicity profiles in terms of cytotoxicity (human cervical cancer cell line) and genotoxicity (DNA fragmentation), which have not been reported to date, were also assessed for the prepared DESDs. Tuning the HBA and HBDs in selected DESDs for promising biological activity was found to have ethical implications. In addition, this study focused on the solubilization enhancement of the local anaesthetic drug lidocaine (LDC) in the stated DESDs as a function of water composition, and higher solubility was observed due to the fair intermolecular hydrogen bonding interactions between LDC and DESDs, which was further validated using the computational simulation approach. In addition, the electron-donating and accepting sites were depicted by 3D-molecular electrostatic potential (3D-MEP) for the examined systems. The observed variations were attributed to the changes in the solvation capacity, viscosity and ionic strength of pure DESDs as a function of water concentration. Finally, this study supports the role of dual HBDs in leading to the formation of stable DESDs with noteworthy action towards drug solubilization and a remarkable biological response.
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spelling pubmed-90551302022-05-04 In vitro toxicity assessment and enhanced drug solubility profile of green deep eutectic solvent derivatives (DESDs) combined with theoretical validation Jangir, Anil Kumar Lad, Bhoomi Dani, Unnati Shah, Nehal Kuperkar, Ketan RSC Adv Chemistry Green solvents are actively taking over as the absolute replacement of intrinsic toxic volatile organic solvents. This is conspicuously analyzed in this study, which mentions the preparation of green deep eutectic solvent derivatives (DESDs) composed of choline chloride (ChCl) as the hydrogen bond acceptor (HBA) and two acids, viz., oxalic acid (OX) and citric acid (CA) as preliminary hydrogen bond donors (HBDs) with ethylene glycol (EG) and glycerol (GLY) as secondary HBDs in an equimolar ratio. This study exposes the vigilant choice of the type and mole ratio of HBA and HBDs, which permit the extended stability of the formulated DESDs in the liquid state even below the room temperature. The prepared DESDs were well-characterized by FT-IR spectroscopy. Furthermore, this work aimed at investigating their antimicrobial activity towards selected bacterial and fungal strains expressed in terms of viscosity measurements. The in vitro toxicity profiles in terms of cytotoxicity (human cervical cancer cell line) and genotoxicity (DNA fragmentation), which have not been reported to date, were also assessed for the prepared DESDs. Tuning the HBA and HBDs in selected DESDs for promising biological activity was found to have ethical implications. In addition, this study focused on the solubilization enhancement of the local anaesthetic drug lidocaine (LDC) in the stated DESDs as a function of water composition, and higher solubility was observed due to the fair intermolecular hydrogen bonding interactions between LDC and DESDs, which was further validated using the computational simulation approach. In addition, the electron-donating and accepting sites were depicted by 3D-molecular electrostatic potential (3D-MEP) for the examined systems. The observed variations were attributed to the changes in the solvation capacity, viscosity and ionic strength of pure DESDs as a function of water concentration. Finally, this study supports the role of dual HBDs in leading to the formation of stable DESDs with noteworthy action towards drug solubilization and a remarkable biological response. The Royal Society of Chemistry 2020-06-24 /pmc/articles/PMC9055130/ /pubmed/35517343 http://dx.doi.org/10.1039/c9ra10320a Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by/3.0/
spellingShingle Chemistry
Jangir, Anil Kumar
Lad, Bhoomi
Dani, Unnati
Shah, Nehal
Kuperkar, Ketan
In vitro toxicity assessment and enhanced drug solubility profile of green deep eutectic solvent derivatives (DESDs) combined with theoretical validation
title In vitro toxicity assessment and enhanced drug solubility profile of green deep eutectic solvent derivatives (DESDs) combined with theoretical validation
title_full In vitro toxicity assessment and enhanced drug solubility profile of green deep eutectic solvent derivatives (DESDs) combined with theoretical validation
title_fullStr In vitro toxicity assessment and enhanced drug solubility profile of green deep eutectic solvent derivatives (DESDs) combined with theoretical validation
title_full_unstemmed In vitro toxicity assessment and enhanced drug solubility profile of green deep eutectic solvent derivatives (DESDs) combined with theoretical validation
title_short In vitro toxicity assessment and enhanced drug solubility profile of green deep eutectic solvent derivatives (DESDs) combined with theoretical validation
title_sort in vitro toxicity assessment and enhanced drug solubility profile of green deep eutectic solvent derivatives (desds) combined with theoretical validation
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9055130/
https://www.ncbi.nlm.nih.gov/pubmed/35517343
http://dx.doi.org/10.1039/c9ra10320a
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