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皮秒区域内含亮氨酸的一些 NSAID 的结构特性的水动力学:使用时域光谱法。

Water dynamics on the structural properties of some NSAID's with leucine in the picosecond region using time domain spectroscopy.

机构信息

School of Physical Sciences, Swami Ramanand Teerth Marathwada University, Nanded, MS, India.

Department of Physics, Taiz University, Yemen.

出版信息

J Biomol Struct Dyn. 2024;42(23):12900-12917. doi: 10.1080/07391102.2023.2273987. Epub 2023 Oct 28.

DOI:10.1080/07391102.2023.2273987
PMID:37897192
Abstract

Concentration-dependent dielectric response for non-steroidal anti-inflammatory drugs (NSAIDs): Aceclofenac (ACF) and Diclofenac (DCF) in the aqueous leucine solution have been reported at different concentrations and temperatures (298.15 K to 283.15 K). The time domain reflectometry technique in the frequency region of 1 GHz to 30 GHz was used for the present study. Complex permittivity (ε*), static dielectric constant (ε), dielectric relaxation time (τ), dipole moment (μ) and Kirkwood correlation factor (g) have been calculated and discussed in terms of the molecular interaction of water and the used drugs. To give more insights into the structural dynamics of drug-induced amino acids, the study includes molar enthalpy of activation (ΔH), entropy of activation (ΔS), and free energy of activation (ΔF). The overall study concludes that the drug (DCF) having a potent inhibitor of cyclooxygenase found a higher static dielectric constant (ε) than that of the drug (ACF) having more carbon (C), hydrogen (H), and oxygen (O) in the chain, which is more efficient in controlling pain.Communicated by Ramaswamy H. Sarma.

摘要

浓度依赖性介电响应的非甾体抗炎药(NSAIDs):已在不同浓度和温度(298.15 K 至 283.15 K)下报道了在水溶液中亮氨酸溶液中的醋氯芬酸(ACF)和双氯芬酸(DCF)。本研究采用了 1 GHz 至 30 GHz 频率范围内的时域反射测量技术。已计算并讨论了复介电常数(ε*)、静态介电常数(ε)、介电弛豫时间(τ)、偶极矩(μ)和 Kirkwood 相关因子(g),以讨论水和所用药物的分子相互作用。为了更深入地了解药物诱导的氨基酸的结构动力学,该研究包括摩尔活化焓(ΔH)、活化熵(ΔS)和活化自由能(ΔF)。总的来说,研究表明,具有环氧化酶强抑制剂的药物(DCF)具有比具有更多碳(C)、氢(H)和氧(O)链的药物(ACF)更高的静态介电常数(ε),在控制疼痛方面更有效。由 Ramaswamy H. Sarma 传达。

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