Analysis of the relationship between the predicted biological activity and the chemical structure of S-derivatives of 5-(5-bromofuran-2-yl)-4R-1,2,4-triazole-3-thiols

1,2,4-Triazole derivatives are actively used as components in the development of new drugs, plant protection products, polymeric materials, anti-corrosion agents and etc. Chemical modeling of substituted 1,2,4-triazoles due to the introduction of different pharmacophores into the structure is very popular among scientists in various fields. Today it is known that some S-derivatives of 5-(5-bromofuran-2-yl)-4R-1,2,4-triazole-3-thiols have antimicrobial activity. The aim of the work is to analyze the relationships between the predicted biological activity and the chemical structure of S-derivatives of 5-(5-bromofuran-2-yl) -4R-1,2,4-triazole-3-thiols. Materials and methods. Virtual screening of compounds was performed using the computer program PASS (Prediction of activity spectra for substances). The results of the forecast were issued in the form of a list of names of probable types of activity with estimates of the probabilities of presence (Pa) and absence of each activity (Pi), which had values from 0 to 1. Results. Analyzing the prediction of biological activity on protein targets from the group of enzymes, we can said that derivatives of 5-(5-bromofuran-2-yl)-4R-1,2,4-triazole-3-thiols were active in the group of oxyreductases (Glutathione reductase, mitochondrial; Cyclooxygenase-2; Hypoxia-inducible factor prolyl hydroxylase 2), which catalyzed oxidation reactions, the transfer of electrons from one molecule (reducer, electron donor) to another (oxidant, electron acceptor). These compounds can demonstrate antioxidant, antihypoxic activity. Conclusions. The conducted forecast of biological activity revealed that derivatives of 5-(5-bromofuran-2-yl)-4R-1,2,4-triazole-3-thiols are the most active and there is a probability to show antitumor, antiviral, antibacterial, diuretic, actoprotective, and antioxidant activity.

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Electrochemically Produced Copolymers of Pyrrole and Its Derivatives: A Plentitude of Material Properties Using “Simple” Heterocyclic Co-Monomers

Materials ◽

10.3390/ma14020281 ◽

2021 ◽

Vol 14 (2) ◽

pp. 281

Author(s):

Tomasz Jarosz ◽

Przemyslaw Ledwon

Keyword(s):

Biological Activity ◽

Material Properties ◽

Building Block ◽

Conjugated Polymer ◽

Chemical Structure ◽

Heterocyclic System ◽

Repeat Unit ◽

Polymeric Materials ◽

Pyrrole Derivatives ◽

Pyrrole Monomer

Polypyrrole is a classical, well-known conjugated polymer that is produced from a simple heterocyclic system. Numerous pyrrole derivatives exhibit biological activity, and the repeat unit is a common building block present in the chemical structure of many polymeric materials, finding wide application, primarily in optoelectronics and sensing. In this work, we focus on the variety of copolymers and their material properties that can be produced electrochemically, even though all these systems are obtained from mixtures of the “simple” pyrrole monomer and its derivatives with different conjugated and non-conjugated species.

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Identification of promising objects for the synthesis of thiosulphonate derivatives of benzoquinone and hydroquinone

Chemistry, Technology and Application of Substances ◽

10.23939/ctas2021.02.047 ◽

2021 ◽

Vol 4 (2) ◽

pp. 47-53

Author(s):

N. Y. Monka ◽

◽

N. E. Stadnytska ◽

I. R. Buchkevych ◽

K. O. Kaplia ◽

...

Keyword(s):

Biological Activity ◽

Biological Activities ◽

Experimental Studies ◽

New Drugs ◽

Reduced Form ◽

Free Form ◽

Wide Range ◽

On Line ◽

Living Organisms ◽

Derivatives Of

Benzoquinone and its reduced form hydroquinone belong to phenolic compounds and are found in living organisms in free form or in glycosides. They are active substances of some medicinal plants and have a pharmacological effect on the human body. Accordingly, their derivatives are important objects for chemical synthesis and development of new drugs. This article presents the findings of the structural design of substances with benzoquinone or hydroquinone fragment and sulfur-containing compound. By use of appropriate on-line programs a predictive screening of the biological activity and cytotoxicity of thiosulfonate derivatives of benzoquinone and hydroquinone has been conducted. It has been found that they have immense methodological potential to be synthesized by substances with a wide range of biological activities and a high value of probable activity, which substantiates the feasibility of conducting experimental studies on their biological activity, particularly anticancer.

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Chemical structure and biological activity ofo-disubstituted derivatives of benzene

Cellular and Molecular Life Sciences ◽

10.1007/bf02136435 ◽

1967 ◽

Vol 23 (12) ◽

pp. 1038-1038 ◽

Cited By ~ 1

Author(s):

K. Boček ◽

J. Kopecký ◽

M. Krivucová

Keyword(s):

Biological Activity ◽

Chemical Structure ◽

Derivatives Of

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Synthesis and Antimicrobial Studies of New [Tetrakis (1, 2, 4-Triazole / 1, 3, 4-Oxadiazole / 1, 3, 4-Thiadiazole] [Bis-(Benzene-1, 3, 5-Triyl)] Dioxymethylene Compounds

Iraqi Journal of Science ◽

10.24996/ijs.2020.61.2.1 ◽

2020 ◽

pp. 234-245

Author(s):

Ahmed Neamah Ayyash

Keyword(s):

Biological Activity ◽

Heterocyclic Compounds ◽

Chemical Structure ◽

Acid Hydrazide ◽

Basic Medium ◽

Tosyl Chloride ◽

Antimicrobial Studies ◽

Ft Ir ◽

Concentrated Sulfuric Acid ◽

Derivatives Of

Synthesis of new heterocyclic compounds containing four five-membered rings together was the main goal of this work. The new derivatives of [tetrakis (1,2,4-triazole /1,3,4-thiadiazole /1,3,4-oxadiazole][bis-(benzene-1,3,5-triyl)] dioxymethylene A7-A18 were synthesized by the reaction of [bis-(dimethyl 5-yl-isophthalate)] dioxymethylene compound A1 which was previously prepared from the reaction of 1,2-dibromomethan and dimethyl 5-hydroxyisophthalate, then treated with hydrazine hydrate to yield the corresponding acid hydrazide A2. In the next step, compound A2 was refluxed with 4-substituted isothiocyanate to give substituted thiosemicarbazides A3-A6. The treatment of the latter compounds in basic medium of 2M of NaOH afforded 1,2,4-Triazole derivatives A7-A10. Whereas the reaction of the same compounds with concentrated sulfuric acid gave 1,3,4-thiadiazoles A11-A14. Furthermore, the new derivatives of 1,3,4-oxadiazole A15-A18 were obtained by the reaction of thiosemicarbazides and tosyl chloride in presence of pyridine. (C. H. N.) elemental analysis, FT-IR, and 1HNMR techniques were used to characterize the chemical structure of some of the new synthesized compounds which also exhibited an important biological activity.

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Comparative characteristics and efficiency of application of new drugs when growing planting material of Siberian larch (Larix sibirica) in the nursery of the educational and experimental suburban forestry of the Republic of Tatarstan.

Известия СПбЛТА ◽

10.21266/2079-4304.2020.231.29-40 ◽

2020 ◽

Author(s):

А.Р. Мухаметшина ◽

Г.А. Петрова ◽

Х.Г. Мусин ◽

И.К. Сингатуллин ◽

Н.Ф. Гибадуллин

Keyword(s):

Plant Protection ◽

Siberian Larch ◽

Plant Protection Products ◽

New Drugs ◽

Planting Material ◽

Consumption Rates ◽

The Republic ◽

Critical Phases ◽

Positive Effect ◽

Root Treatment

Успешность применения средств защиты растений во многом зависит от обеспеченности их элементами питания. Одним из эффективных способов является использование некорневой обработки различными препаратами, которая восполняет дефицит питательных веществ именно в критические фазы роста и развития растений. Кроме этого, препараты данной группы способствуют многократному снижению норм расхода дорогостоящих удобрений. Объектом полевого исследования являются посевы лиственницы сибирской в естественном очаге поражения шютте (возбудитель – гриб Meria Laricis Vuill.). Первые признаки болезни проявляются на двухлетних сеянцах в конце мая – начале июня. В 2019 году на территории питомника учебно-опытного Пригородного лесхоза Республики Татарстан было проведено изучение влияния фунгицидов и некорневой подкормки на сеянцы лиственницы сибирской. Опыты были заложены в посевах второго года выращивания. Обработку сеянцев фунгицидами «Ракурс, СК», «Азорро, КС» и некорневой обработки препаратами «Эмистим, Р», «Агростимул», «Интермаг» проводили двукратно в течение вегетационного периода – в первой и второй половине июля. Положительный эффект от опрыскивания двухлетних сеянцев наблюдался уже после первой обработки. Наилучший результат был выявлен в варианте с применением стимулятора роста «Эмистим, Р» на фоне фунгицида «Азорро, КС». По состоянию на 27 июня распространенность шютте в этом варианте опыта составила 18,0%, что значительно ниже (на 13,0%) значений контрольного варианта (47,0%). В целом распространенность шютте в контрольном варианте без обработки фунгицидами варьирует в пределах 37,0–47,0%. Самый высокий процент здоровых сеянцев обеспечили варианты с некорневой обработкой различными препаратами на фоне опрыскивания фунгицидами – от 90,0 до 97,0%. The success of the application of plant protection products in many respects depends on the availability of their nutrients. One of the most effective methods is the use of non-root treatment with various drugs, which makes up for the lack of nutrients in critical phases of plant growth and development. In addition, the expediency of their use is determined by a multiple reduction in the consumption rates of expensive fertilizers. The object of the field study is crops of Siberian larch in the natural lesion of Schutte (the pathogen is the fungus Meria Laricis Vuill.). The first signs of the disease appear on two-year-old seedlings in late may or early June. In 2019, the study of the effect of fungicides and non-root feeding on Siberian larch seedlings was carried out on the territory of the nursery of the educational and experimental suburban forestry of the Republic of Tatarstan. The experiments were laid in the crops of the second year of cultivation. Treatment of seedlings with fungicides «Rakurs, SK», «Zorex» and non-root treatment with the drug «Emistim, P», «Agrostimul», «Intermag» was performed twice during the growing season – in the first and second half of July. The positive effect of spraying two-year-old seedlings was observed after the first treatment. The best result was found in the application of growth stimulator «Emistim» against the background of the fungicide «azorro, CS». As of June 27, the prevalence of «Schutte» in this variant of the experiment was 18.0%, which is significantly lower (by 13,0%) than the values of the control variant (47.0%). In General, the prevalence of Schutte in the control version without treatment with fungicides varies between 37.0-47.0%. The highest percentage of healthy seedlings was provided by options with non-root treatment with various drugs on the background of spraying with fungicides-from 90.0 to 97.0%.

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Structural and Biological Overview of Boron-containing Amino Acids in the Medicinal Chemistry Field

Current Medicinal Chemistry ◽

10.2174/0929867325666180926150403 ◽

2019 ◽

Vol 26 (26) ◽

pp. 5077-5089 ◽

Cited By ~ 2

Author(s):

Antonio Abad García ◽

Alexey Rayevsky ◽

E. Andrade-Jorge ◽

José G. Trujillo-Ferrara

Keyword(s):

Amino Acids ◽

Biological Activity ◽

Biological Effect ◽

Drug Targets ◽

New Drugs ◽

Toxicological Profile ◽

Therapeutic Tools ◽

The Stability ◽

Relationship Of ◽

Derivatives Of

Background: Amino acids are the basic structural units of proteins as well as the precursors of many compounds with biological activity. The addition of boron reportedly induces changes in the chemical-biological profile of amino acids. Methods: We compiled information on the biological effect of some compounds and discussed the structure-activity relationship of the addition of boron. The specific focus presently is on borinic derivatives of α-amino acids, the specific changes in biological activity caused by the addition of a boron-containing moiety, and the identification of some attractive compounds for testing as potential new drugs. Results: Borinic derivatives of α-amino acids have been widely synthesized and tested as potential new therapeutic tools. The B-N (1.65 A°) or B-C (1.61 A°) or B-O (1.50 A°) bond is often key for the stability at different pHs and temperatures and activity of these compounds. The chemical features of synthesized derivatives, such as the specific moieties and the logP, polarizability and position of the boron atom are clearly linked to their pharmacodynamic and pharmacokinetic profiles. Some mechanisms of action have been suggested or demonstrated, while those responsible for other effects remain unknown. Conclusion: The increasing number of synthetic borinic derivatives of α-amino acids as well as the recently reported crystal structures are providing new insights into the stability of these compounds at different pHs and temperatures, their interactions on drug targets, and the ring formation of five-membered heterocycles. Further research is required to clarify the ways to achieve specific synthesis, the mechanisms involved in the observed biological effect, and the toxicological profile of this type of boron-containing compounds (BCCs).

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Particular Activity of Naphthacene Derivatives as Inducers of Zoxazolamine Hydroxylase Synthesis in Rats

Zeitschrift für Naturforschung B ◽

10.1515/znb-1967-0515 ◽

1967 ◽

Vol 22 (5) ◽

pp. 532-534 ◽

Cited By ~ 5

Author(s):

N. P. Buu-Ηοϊ ◽

Do-Phuoc Hien

Keyword(s):

Biological Activity ◽

High Activity ◽

Chemical Structure ◽

Structural Analogues ◽

Derivatives Of

High activity as inducers of microsomal zoxazolamine hydroxylase synthesis in rats has been found to be remarkably frequent in derivatives of the linear tetracyclic hydrocarbon naphthacene and their heterocyclic structural analogues. The relationships between chemical structure and this type of biological activity, which is shown to be independent of carcinogenic properties, are discussed.

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