Atomistic insights into the intermolecular interactions of Cistanoside A from Cistanche deserticola with natural deep eutectic solvents

Atomistic insights into the intermolecular interactions of Cistanoside A from Cistanche deserticola with natural deep eutectic solvents

Abstract Natural Deep Eutectic Solvents (NADES) have emerged as sustainable alternatives to conventional solvents, offering enhanced solubility and biocompatibility for natural bioactive compounds. In this study, we employ density functional theory (DFT) calculations and classical all-atom molecular...

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Main Authors: Dilnur Tussipkan, Cheng Chaohua, Kairat Aidarkhan, Qiu Caisheng, Song Xixia, Tang Lili, Liu Dandan, Zhexenbek Toktarbay, Ali Zhalel, Shuga Manabayeva
Format: Article
Language:English
Published: Springer 2025-08-01
Series:Discover Applied Sciences
Subjects:
Cistanoside A
Natural deep eutectic solvent
Intermolecular interactions
Density functional theory
Classical all-atom molecular dynamics
Online Access:https://doi.org/10.1007/s42452-025-07553-6
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https://doi.org/10.1007/s42452-025-07553-6

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