PMID- 35517343 OWN - NLM STAT- PubMed-not-MEDLINE LR - 20220716 IS - 2046-2069 (Electronic) IS - 2046-2069 (Linking) VI - 10 IP - 40 DP - 2020 Jun 19 TI - In vitro toxicity assessment and enhanced drug solubility profile of green deep eutectic solvent derivatives (DESDs) combined with theoretical validation. PG - 24063-24072 LID - 10.1039/c9ra10320a [doi] AB - 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. CI - This journal is (c) The Royal Society of Chemistry. FAU - Jangir, Anil Kumar AU - Jangir AK AD - Department of Applied Chemistry, Sardar Vallabhbhai National Institute of Technology Surat-395 007 Gujarat India ketankuperkar@gmail.com. FAU - Lad, Bhoomi AU - Lad B AD - Department of Biotechnology, Shree Ramkrishna Institute of Computer Education and Applied Science Surat-395 001 Gujarat India. FAU - Dani, Unnati AU - Dani U AD - Department of Chemistry, Bhagwan Mahavir College of Science and Technology Surat-395 017 Gujarat India. FAU - Shah, Nehal AU - Shah N AD - Department of Biotechnology, Shree Ramkrishna Institute of Computer Education and Applied Science Surat-395 001 Gujarat India. FAU - Kuperkar, Ketan AU - Kuperkar K AUID- ORCID: 0000-0001-9175-8906 AD - Department of Applied Chemistry, Sardar Vallabhbhai National Institute of Technology Surat-395 007 Gujarat India ketankuperkar@gmail.com. LA - eng PT - Journal Article DEP - 20200624 PL - England TA - RSC Adv JT - RSC advances JID - 101581657 PMC - PMC9055130 COIS- The author declares no conflict of interest. EDAT- 2020/06/24 00:00 MHDA- 2020/06/24 00:01 PMCR- 2020/06/24 CRDT- 2022/05/06 05:48 PHST- 2019/12/09 00:00 [received] PHST- 2020/02/28 00:00 [accepted] PHST- 2022/05/06 05:48 [entrez] PHST- 2020/06/24 00:00 [pubmed] PHST- 2020/06/24 00:01 [medline] PHST- 2020/06/24 00:00 [pmc-release] AID - c9ra10320a [pii] AID - 10.1039/c9ra10320a [doi] PST - epublish SO - RSC Adv. 2020 Jun 24;10(40):24063-24072. doi: 10.1039/c9ra10320a. eCollection 2020 Jun 19.