Decoding Molecular Interactions of Glycine, l-Proline, and l-valine in Aqueous Solution of Anti Alzheimer DRUG Donepezil Hydrochloride: A Volumetric, Acoustic, and Viscometric Approach

IF 2.1 3区 工程技术 Q3 CHEMISTRY, MULTIDISCIPLINARY
Sneha T. Bankar*, Vijay M. Tangde, Pranali Y. Umredkar, Rajlaxmi N. Khaty and Niraj T. Khaty, 
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Abstract

This research study offers an extensive exploration of how Donepezil hydrochloride (DonHCl) behaves within aqueous surroundings, particularly in the company of three key primary amino acids: glycine (GLY), l-proline (PRO), and l-valine (VAL). This research encompasses a temperature range from 288.15 to 318.15 K involving volumetric, acoustic, and viscometric measurements to investigate the interplay between DonHCl and the amino acids, unraveling their complexities and nuances. The comprehensive computation and analysis of various thermodynamic parameters under study, including the limiting apparent molar volume of solute (Vϕ0) and the associated experimental slope (SV), along with the Jones–Dole B-coefficient, highlight the paramount significance of solute–solvent associations within amino acid-aqueous DonHCl solutions. Additionally, computations have been carried out for the coefficient of thermal expansion (α*), Hepler’s constant (∂2Vϕ0/∂T2), and the temperature derivative of the B coefficient (dB/dT). The findings shed light on the interactions among these amino acids and the drug DonHCl influenced by temperature, providing insights into potential binding mechanisms and solution behavior. This study has implications for the pharmaceutical sciences, where DonHCl is crucial, in addition to improving our fundamental knowledge of solute–solvent interactions. This study presents a novel investigation into DonHCl, marking a new research endeavor in the field.

Abstract Image

解码抗阿尔茨海默病药物盐酸多奈哌齐水溶液中甘氨酸、l-脯氨酸和l-缬氨酸的分子相互作用:体积、声学和粘度测定方法
本研究对盐酸多奈哌齐(DonHCl)在水环境中的行为进行了广泛的探索,特别是在三种关键的初级氨基酸:甘氨酸(GLY)、l-脯氨酸(PRO)和l-缬氨酸(VAL)的情况下。本研究涵盖了288.15至318.15 K的温度范围,包括体积,声学和粘度测量,以研究DonHCl与氨基酸之间的相互作用,揭示其复杂性和细微差别。综合计算和分析了所研究的各种热力学参数,包括溶质的极限表观摩尔体积(Vϕ0)和相关的实验斜率(SV),以及Jones-Dole b系数,突出了氨基酸-盐酸水溶液中溶质-溶剂关联的最重要意义。此外,还对热膨胀系数(α*)、Hepler常数(∂2Vϕ0/∂T2)和B系数的温度导数(dB/dT)进行了计算。这些发现揭示了这些氨基酸与温度影响下的药物DonHCl之间的相互作用,为潜在的结合机制和溶液行为提供了见解。除了提高我们对溶质-溶剂相互作用的基础知识外,这项研究还对制药科学有影响,其中DonHCl是至关重要的。本研究对DonHCl进行了新颖的研究,标志着该领域的研究进入了新的阶段。
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来源期刊
Journal of Chemical & Engineering Data
Journal of Chemical & Engineering Data 工程技术-工程:化工
CiteScore
5.20
自引率
19.20%
发文量
324
审稿时长
2.2 months
期刊介绍: The Journal of Chemical & Engineering Data is a monthly journal devoted to the publication of data obtained from both experiment and computation, which are viewed as complementary. It is the only American Chemical Society journal primarily concerned with articles containing data on the phase behavior and the physical, thermodynamic, and transport properties of well-defined materials, including complex mixtures of known compositions. While environmental and biological samples are of interest, their compositions must be known and reproducible. As a result, adsorption on natural product materials does not generally fit within the scope of Journal of Chemical & Engineering Data.
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