具杀菌活性噻唑类化合物的研究进展

噻唑类化合物是近年来发展的一个热点。噻唑基团引入到各种不同的化合物结构中。通过结构修饰能产生一系列具有广谱生物活性的化合物，使得它在新型超高效农药创制中发挥出越来越重要的作用。本文按照不同的结构进行分类，着重从化学结构、生物活性方面对具有杀菌活性的噻唑类化合物进行综述，并对其发展趋势和应用前景进行了展望。     

砜类化合物杀菌活性的研究进展

砜类化合物因具有广谱生物活性而引起人们对它的关注，尤其是将砜基团引入到各种不同的化合物结构中，通过结构修饰能产生一系列具有广谱生物活性的化合物，使得它在新型超高效农药创制中发挥出越来越重要的作用。从杀菌剂方面对砜类化合物的生物活性研究进行了分类综述，重点介绍了该类化合物的一些生物活性研究方面的工作，简述了不同取代基对砜类化合物生物活性的影响，并对它的发展趋势和应用前景作了展望。     

丙酮噻唑腙类衍生物的合成研究

噻唑类化合物具有良好的杀菌、抗病毒、抗肿瘤等活性。以噻唑及其衍生物作为母体与其他具有良好活性的基团构建成具有更高活性的新化合物逐渐成为研究的热点。腙类化合物在抑菌、消炎、抗肿瘤等方面也表现出较强的生物活性。因此,将噻唑基团和腙基团融合在同一化学结构中有望得到具有更高生物活性的化合物。以α-溴代苯乙酮、氨基硫脲和丙酮为原料,回流反应1 h,通过"一锅法"合成了7个目标化合物,同时对所得的7个目标化合物结构进行表征,结果表明,表征数据与分子结构相匹配。与以往的噻唑腙类化合物的合成相比,方法具有反应时间短、选择性高、副产物少及后处理简单等优点。     

亚砜类化合物的合成及杀菌活性的研究进展

亚砜类化合物因具有广谱生物活性而引起人们对它的关注,尤其是将亚砜基团引入到各种不同的化合物结构中,通过结构修饰能产生一系列具有广谱生物活性的化合物,使得它在新型超高效农药创制中发挥出越来越重要的作用。本文对亚砜类化合物的合成及杀菌活性进行了综述,简述了不同取代基对亚砜类化合物生物活性的影响,并对它的发展趋势和应用前景作了展望。     

吲哚类抗癌化合物的研究进展

吲哚类化合物因其广泛的生物活性在抗癌药物领域备受关注。将不同修饰基团引入吲哚结构中,能产生一系列具有抗癌活性的化合物,它在抗癌药物的开发中发挥越来越重要的作用。根据吲哚化合物的不同结构分类综述了其在抗癌领域的研究进展,并对研究趋势进行了展望。     

腙类化合物在农药活性方面研究进展

腙类化合物因具有独特的生物活性在农药领域受到广泛关注。将腙基团引入不同的化合物结构中,通过结构修饰能生成一系列具有广谱生物活性的化合物。它在农药的创制中发挥越来越重要的作用。本文综述了近几年具有良好杀虫、抗菌、除草及植物生长调节活性的腙类化合物的研究进展,并对该类化合物的发展趋势和应用前景进行了展望。     

具有生物活性的异噻唑类化合物研究进展

异噻唑类化合物正逐渐成为农药的一个重要类别。按照化合物结构类型的不同将具有生物活性的异噻唑类化合物归纳为糖精类、胺类、异噻菌胺类似物、磺酰脲类、脲类、酰胺类及其他类共7类化合物。概述了这些类别中具有较好生物活性的化合物,同时介绍了研发此类化合物的创制经纬并对其研究趋势进行了展望,为以后该类化合物的研究提供了思路和依据。     

1,3,4-(噁)二唑类化合物杀菌活性研究进展

1,3,4-二唑类化合物因其独特的生物活性在农药、医药等领域受到广泛关注.将1,3,4-二唑环引入不同的化合物结构中,通过结构修饰能生成一系列具有广谱生物活性的化合物.它在新型农药创制中发挥越来越重要的作用.按照不同的结构进行分类,从杀菌方面对1,3,4-二唑类化合物的生物活性研究进展进行了综述,重点介绍了该类化合物的一些生物活性研究方面的工作,并对它的发展趋势和应用前景作了展望.     

哒嗪衍生物在农药活性方面的研究进展

哒嗪化合物因具有抑菌、杀虫、除草和抗病毒等生物活性而引起广泛关注,通过结构修饰将不同基团引入到哒嗪结构中,能产生具有广谱生物活性的化合物,使其在新型高效农药创制中起着重要的作用。按其在农药应用方面的不同活性作用进行分类,综述了哒嗪衍生物在抑菌、杀虫杀螨、除草及抗病毒方面的应用,并展望了该类化合物的发展趋势和应用前景。     

酰胺类化合物农药生物活性的研究进展

酰胺类化合物因具有抑菌、杀虫、除草和抗病毒等生物活性而引起广泛关注,通过结构修饰将不同基团引入到酰胺结构中,合成具有广谱生物活性的化合物,使其在新型高效农药创制中起着重要的作用。按其在农药生物活性方面进行分类,综述了酰胺衍生物在抑菌、杀虫杀螨、除草及抗病毒方面的应用,并展望了该类化合物的发展趋势和应用前景。     

Versatile 2-amino-4-substituted-1,3-thiazoles: synthesis and reactions

Syntheses and reactions of 2-amino-4-substituted-1,3-thiazoles are reviewed in a formal way. The title compounds are most easily accessible by various approaches, and even waste-free solid-state procedures have been developed. The substitution in 4-position has synthetic reasons and therefore most interest accumulates around these derivatives of 2-aminothiazole. The high reactivity of both the amino group and the positions 3 and 5 of the 1,3-thiazole ring are used for numerous syntheses in a comprehensive way. The reactions are subdivided in groups that cover reactions at the amino substituent without touching the thiazole ring, reactions which involve both nitrogens in the formal amidine system to give thiazolo-pyrimidinones and -imidazoles as well as more involved polycondensed N,S-heterocycles with multiple possibilities for substituents, and substitution reactions at the 5-position of the thiazole ring. Most of the imaginable reaction types have been successfully applied and used, as many of the synthesized compounds exhibit interesting biological activity in various fields.     

Synthesis of 2-mercaptobenzothiazole and 2-mercaptobenzimidazole derivatives condensed with carbohydrates as a potential antimicrobial agents

The thiazole and imidazole nucleus, as well as carbohydrates are important classes of compounds found in many natural and synthetic products with a wide range of biological activities. Due to the importance of these classes of compounds as antimicrobial agents, the present article reports the synthesis of a new series of nine compounds based on the coupling of 2-mercaptobenzothiazole and 2-mercaptobenzimidazole with different carbohydrates.     

Deep Learning in Virtual Screening: Recent Applications and Developments

Drug discovery is a cost and time-intensive process that is often assisted by computational methods, such as virtual screening, to speed up and guide the design of new compounds. For many years, machine learning methods have been successfully applied in the context of computer-aided drug discovery. Recently, thanks to the rise of novel technologies as well as the increasing amount of available chemical and bioactivity data, deep learning has gained a tremendous impact in rational active compound discovery. Herein, recent applications and developments of machine learning, with a focus on deep learning, in virtual screening for active compound design are reviewed. This includes introducing different compound and protein encodings, deep learning techniques as well as frequently used bioactivity and benchmark data sets for model training and testing. Finally, the present state-of-the-art, including the current challenges and emerging problems, are examined and discussed.     

Novel Hybrid Compounds Containing Benzofuroxan and Aminothiazole Scaffolds: Synthesis and Evaluation of Their Anticancer Activity

A series of novel hybrid compounds containing benzofuroxan and 2-aminothiazole moieties are synthesized via aromatic nucleophilic substitution reaction. Possible reaction pathways have been considered quantum-chemically, which allowed us to suggest the most probable products. The quantum chemical results have been proved by X-ray data on one compound belonging to the synthesized series. It was shown that the introduction of substituents to both the thiazole and amine moieties of the compounds under study strongly influences their UV/Vis spectra. Initial substances and obtained hybrid compounds have been tested in vitro as anticancer agents. Target compounds showed selectivity towards M-HeLa tumor cell lines and were found to be more active than starting benzofuroxan and aminothiazoles. Furthermore, they are considerably less toxic to normal liver cells compared to Tamoxifen. The mechanism of action of the studied compounds can be associated with the induction of apoptosis, which proceeds along the mitochondrial pathway. Thus, new hybrids of benzofuroxan are promising candidates for further development as anticancer agents.     

手性除草剂的合成及生物活性研究进展

手性除草剂因具有广谱高效生物活性而引起人们的关注,通过不对称中心不同构型变化能产生一系列具有广谱生物活性的异构体,使得它在新型超高效农药创制中发挥出越来越重要的作用.对手性除草剂的国内外研究进展进行了分类综述,重点介绍了手性化合物的一些合成方法以及生物活性研究方面的工作,并对它的发展趋势和应用前景做了展望.     

噻唑/·唑类活性天然产物及活性小分子化合物研究进展

介绍了天然界中存在很多含有噻唑/(口恶)唑结构单元的活性分子,其生物合成途径或仿生合成方法通常分别以多肽氨基酸残基的羧酸基团或羧酸衍生物为底物,与半胱氨酸/丝氨酸等天然氨基酸或经过衍生化的非天然氨基酸环合、氧化而成,因此天然产物中的噻唑/(口恶)唑C5位通常以无取代的形式存在。然而,C5位二聚化、烯基化或芳基化的噻唑/(口恶)唑结构单元常见于具有广泛药理活性的人工合成的分子中,构建这类结构单元通常都需预先制备β-取代的非天然氨基酸。并且,关于该类天然产物的结构改造均未涉及噻唑/(口恶)唑C5位上的官能团化修饰,这是由于目前尚缺乏该位点上的官能团化方法而造成的。该现状预示着,开发噻唑/(口恶)唑C5位官能团化新方法,并将其应用于噻唑/(口恶)唑天然产物的结构修饰,具有十分重要的意义和研究价值。     

Nutritional importance of phenolic compounds in the diet

Phenols are one of the major groups of nonessential dietary components appearing in vegetable foods. They are a wide chemical compounds group that are considered as secondary plant metabolites, with different activity and chemical structure, including more than 8,000 different compounds. Phenols, has traditionally been considered as antinutritive compounds due to the adverse effect of one of their main components, tannins, on protein digestibility. However, actually there is an increased interest in these compounds because they have been associated with the inhibition of atherosclerosis and cancer. The bioactivity of phenolics may be related to their antioxidant behaviour, which is attributed to their ability to chelate metals, inhibit lipoxygenase and scavenge free radicals. This review make a global view on the main phenolic compound groups, their organoleptic effects in vegetable foods, their physiological effects in humans, their metabolism, bioavailability as well as their content in the diet.