From Nature to Drug: Overview and CADD Approach of Anacardic Acid to Propose their Biological Potential.

IF 2.9 4区 医学 Q3 CHEMISTRY, MEDICINAL Current topics in medicinal chemistry Pub Date : 2024-09-18 DOI:10.2174/0115680266319575240905164313
Magna Maria Lima Araújo, Maria Lorena de Oliveira Andrade, Genil Dantas de Oliveira, Igor José Dos Santos Nascimento, Samuel Paulo Cibulski, Harley da Silva Alves
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Abstract

Anacardic acids are natural compounds found in various plant families, such as Anacardiaceae, Geraniaceae, Ginkgoaceae, and Myristicaceae, among others. Several activities have been reported regarding these compounds, including antibacterial, antioxidant, anticancer, anti-inflammatory, and antiviral activities, showing the potential therapeutic applicability of these compounds. From a chemical point of view, they are structurally made up of salicylic acids substituted by an alkyl chain containing unsaturated bonds, which can vary in number and position, determining their bioactivity and differentiating them from the various existing forms. Our work aimed to explore the potential of anacardic acids, based on studies that address the bioactivity of these compounds, as well as to establish a greater understanding of the structure-activity relationship of these compounds through in silico methods, with a focus on the elucidation of a possible drug target through the application of computer-aided drug design, CADD.

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从自然到药物:概述心绞痛酸并采用 CADD 方法提出其生物潜力。
无患子酸是一种天然化合物,存在于多种植物科中,如无患子科、鼠李科、银杏科和肉豆蔻科等。据报道,这些化合物具有多种活性,包括抗菌、抗氧化、抗癌、抗炎和抗病毒活性,显示了这些化合物潜在的治疗用途。从化学角度来看,这些化合物在结构上由水杨酸组成,水杨酸被含有不饱和键的烷基链取代,不饱和键的数量和位置各不相同,这就决定了它们的生物活性,并将它们与现有的各种形式区分开来。我们的工作旨在根据对这些化合物生物活性的研究,探索无患子酸的潜力,并通过硅学方法进一步了解这些化合物的结构-活性关系,重点是通过应用计算机辅助药物设计(CADD)阐明可能的药物靶点。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
CiteScore
6.40
自引率
2.90%
发文量
186
审稿时长
3-8 weeks
期刊介绍: Current Topics in Medicinal Chemistry is a forum for the review of areas of keen and topical interest to medicinal chemists and others in the allied disciplines. Each issue is solely devoted to a specific topic, containing six to nine reviews, which provide the reader a comprehensive survey of that area. A Guest Editor who is an expert in the topic under review, will assemble each issue. The scope of Current Topics in Medicinal Chemistry will cover all areas of medicinal chemistry, including current developments in rational drug design, synthetic chemistry, bioorganic chemistry, high-throughput screening, combinatorial chemistry, compound diversity measurements, drug absorption, drug distribution, metabolism, new and emerging drug targets, natural products, pharmacogenomics, and structure-activity relationships. Medicinal chemistry is a rapidly maturing discipline. The study of how structure and function are related is absolutely essential to understanding the molecular basis of life. Current Topics in Medicinal Chemistry aims to contribute to the growth of scientific knowledge and insight, and facilitate the discovery and development of new therapeutic agents to treat debilitating human disorders. The journal is essential for every medicinal chemist who wishes to be kept informed and up-to-date with the latest and most important advances.
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