A combined physicochemical and computational investigation of the inclusion behaviour of 3-(1-Naphthyl)-D-alanine Hydrochloride insights into b-Cyclodextrin

被引：4

作者：

Mondal, Modhusudan ^{[1
]}

Basak, Shatarupa ^{[1
]}

Ghosh, Biswajit ^{[1
]}

Ali, Salim ^{[1
]}

Saha, Baishali ^{[1
]}

Mallick, Kangkan ^{[1
]}

Roy, Kanak ^{[2
]}

Roy, Mahendra Nath ^{[1
,3
]}

机构：

[1] Univ North Bengal, Dept Chem, Darjeeling 734013, India

[2] Alipurduar Univ, Dept Chem, Alipurduar 736122, India

[3] Alipurduar Univ, Alipurduar 736122, India

来源：

JOURNAL OF MOLECULAR LIQUIDS | 2023年 / 378卷

关键词：

3-(1-Naphthyl)-D-alanine Hydrochloride; b-Cyclodextrin; Inclusion Complex; Photostability; DNA Binding; BETA-CYCLODEXTRIN; AQUEOUS-SOLUTION; AMINO-ACIDS; COMPLEX; PHOTOSTABILITY; PROTEIN; RECOGNITION; RELEASE; PEPTIDE; BINDING;

D O I：

10.1016/j.molliq.2023.121583

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

In numerous biological activities, 3-(1-Naphthyl)-D-alanine Hydrochloride (D-1NA) serves as an essential metabolic precursor and amino acid receptor. Therefore, a sufficient supply of D-1NA is very much impor-tant. Here, we look into how D-1NA interacts with the hydrophobic cavity of b-cyclodextrin (BCD) to form the host-guest assembly. Analysis of experimental and theoretical findings demonstrates the creation of a stable IC, which is suggestive of the usefulness of BCD as a delivery method for D-1NA. The binding behaviour of this newly created 1:1 inclusion system of D-1NA with BCD has been examined by UV-vis-ible spectroscopy and discovered that BCD showed a considerable affinity for D-1NA and the binding pro-cess was thermodynamically possible. Molecular docking analysis demonstrated the most reliable D-1NA binding orientation inside the BCD, as shown by Fourier transforms infrared and 1H-Nuclear magnetic resonance spectroscopic analyses. Studies using PXRD and SEM images also showed that inclusion com-plexes had formed. After complexing with BCD, D-1NA's photostability is increased. Additionally, it was described how the produced IC is bound to the Deoxyribonucleic acid (DNA) of the calf thymus (CT). (c) 2023 Elsevier B.V. All rights reserved.

引用

页数：10