A combined spectroscopic and molecular dynamic analysis of the inclusion behaviour of l-serine and β-cyclodextrin
| Autor: | Amitava Mandal, Susama Chakraborty, Ankana Karmakar, Pranab Ghosh, Tamal Goswami |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
chemistry.chemical_classification
Cyclodextrin Stereochemistry Hydrogen bond 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Atomic and Molecular Physics and Optics 0104 chemical sciences Electronic Optical and Magnetic Materials Amino acid Serine symbols.namesake Molecular dynamics chemistry Materials Chemistry symbols Proton NMR Physical and Theoretical Chemistry van der Waals force 0210 nano-technology Two-dimensional nuclear magnetic resonance spectroscopy Spectroscopy |
| Zdroj: | Journal of Molecular Liquids. 321:114447 |
| ISSN: | 0167-7322 |
| DOI: | 10.1016/j.molliq.2020.114447 |
| Popis: | l -Serine is supposed to be a nonessential amino acid and is indispensable to many neurodevelopmental symptoms. It acts as a vital metabolic precursor in different biological processes. Adequate supply of l -serine is then earnestly necessary for healthy neural development. Herein we investigate the complexation behaviour of l -serine into the hydrophobic cavity of β-cyclodextrin (β-CD). The synthesized 1:1 inclusion complex (IC) was studied and analyzed through various spectroscopic techniques (UV, FT-IR, Raman, XRD, 1H NMR, COSY, NOESY, SEM, TGA, etc.) as well as through molecular docking and molecular dynamics computations. Hydrogen bonding and van der Waal's interaction are found to be the chief driving force for the formation of such an inclusion complex. Analysis of experimental and theoretical results reveals the formation of a stable IC that is indicative of the applicability of β-CD as a vehicle for l -serine delivery. |
| Databáze: | OpenAIRE |
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