Role of Endogenous Salicylic Acid as a Hormonal Intermediate in the Bacterial Endophyte -Induced Protection of Wheat Genotypes Contrasting in Drought Susceptibility under Dehydration.

Endophytic is a non-pathogenic beneficial bacterium which promotes plant growth and tolerance to abiotic stresses, including drought. However, the underlying physiological mechanisms are not well understood. In this study, the potential role that endogenous salicylic acid (SA) plays in regulating endophytic -mediated drought tolerance in wheat ( L.

Synthesis, Anti-Influenza H1N1 and Anti-Dengue Activity of A-Ring Modified Oleanonic Acid Polyamine Derivatives.

A series of sixteen A-ring modified (2,3-indolo-, 2-benzylidene) oleanonic acid derivatives, holding some cyclic amines, linear polyamines and benzylaminocarboxamides at C28, has been synthesized and screened for antiviral activity against influenza A/PuertoRico/8/34 (H1N1) and Dengue virus serotypes of DENV-1, -2, -3, -4. It was found that 28-homopiperazine and 3--phthalyl amides of oleanonic acid demonstrated high potency with selectivity index SI 27 (IC 21 μM) and 42 (IC 12 μM). Oleanonic acid aminoethylpiperazine amide and C-azepano-erythrodiol appeared to be the most effective compounds against DENV-1 (ICs 67 and 107 μM) and -2 (ICs 86 and 68 μM correspondingly) serotypes.

Heat Capacity Estimation Using a Complete Set of Homodesmotic Reactions for Organic Compounds.

Reliable information about isobaric heat capacities is necessary to determine the energies of organic compounds and chemical processes at an arbitrary temperature. In this work, the possibility of theoretical estimation of by the homodesmotic method is analyzed. Three cases of calculation applying the methodology of the complete set of homodesmotic reactions (CS HDRs) are considered: the gas- and liquid-phase of organic compounds of various classes at 298 K (the mean absolute value of reaction heat capacity, MA Δ = 1.

Synthesis of 4-Aminopyrazol-5-ols as Edaravone Analogs and Their Antioxidant Activity.

One of the powerful antioxidants used clinically is Edaravone (EDA). We synthesized a series of new EDA analogs, 4-aminopyrazol-5-ol hydrochlorides, including polyfluoroalkyl derivatives, via the reduction of 4-hydroxyiminopyrazol-5-ones. The primary antioxidant activity of the compounds in comparison with EDA was investigated in vitro using ABTS, FRAP, and ORAC tests.

Pyridine Carboxamides Based on Sulfobetaines: Design, Reactivity, and Biological Activity.

The synthesis of the products of the 1,3-propanesultone ring opening during its interaction with amides of pyridinecarboxylic acids has been carried out. The dependence of the yield of the reaction products on the position (-, -, -) of the substituent in the heteroaromatic fragment and temperature condition was revealed. In contrast to the - and -substituted substrates, the reaction involving -derivatives at the boiling point of methanol unexpectedly led to the formation of a salt.

Global Kinetics and Spectral Modeling of -Methoxyphenyl Azide Photooxidation.

The kinetics of photooxidation of -methoxyphenyl azide was studied by flash photolysis with spectrophotometric detection of the absorption of active intermediates in an aerated acetonitrile solution at 295 K. The holistic set of experimental data including the consumption of - isomers of -methoxyphenyl nitroso oxide and the accumulation of photooxidation products (2,4)-4-methoxy-6-oxo-hexa-2,4-diene-nitrile oxide and bis--methoxy-azobenzene monitored via the changes in the optical density of the solution in the wavelength range of 300-500 nm was treated to obtain the most complete information about the system under study. Flash photolysis of results in the formation of the corresponding triplet nitrene, which either recombines to azobenzene with a rate constant 2 = (8.

Cyclization of arylhydrazones of cross-conjugated enynones: synthesis of luminescent styryl-1-pyrazoles and propenyl-1-pyrazoles.

Condensation of 1,5-disubstituted pent-1-en-4-yn-1-ones with arylhydrazines in acidified alcohol results mainly in the formation of the corresponding arylhydrazones with traces of the side products of cyclization at the double bond - 1,5-diaryl-3-(arylethynyl)-4,5-dihydro-1-pyrazoles (pyrazolines). Arylhydrazones are cyclized only by refluxing in high-boiling polar solvents (DMF and ethylene glycol), with the selective formation of 1,5-disubstituted 3-styrylpyrazoles in up to 77-95% yields. Thermodynamically, the cyclization of arylhydrazones at the triple bond is the most preferable pathway, as shown by DFT calculations and preparative synthesis experiments.

Synthesis of Glycyrrhizic Acid Conjugates with Amino-Acid Methyl Esters and their Ability to Stimulate Antibody Genesis in Mice.

Conjugates of glycyrrhizic acid (GA) with methyl esters of -amino acids (valine, methionine, and glutamic acid) containing the amino-acid residues in the carbohydrate moiety of the glycoside were synthesized using 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide. The resulting GA conjugates at a dose of 2 mg/kg stimulated a primary immune response (production of antibody-forming cells, AFCs) in outbred mice by 1.6 - 3 times as compared with the control.

Theoretical Investigation of the Structure and Physicochemical Properties of Alkaline and Alkaline Earth Metal Perchlorate Solutions in Sulfolane.

To assess the possibility of using solutions of perchlorates of alkali and alkaline earth metals in sulfolane as electrolytes for electrochemical energy storage devices with metal negative electrodes, the physicochemical properties of 0.5 M solutions of Me(ClO) (Me = Li, Na, K, Mg, and Ca) in sulfolane were simulated by the method of molecular dynamics. The density, viscosity, conductivity, self-diffusion coefficients, and transport numbers are calculated.

Glycyrrhizic Acid Derivatives Bearing Amino Acid Residues in the Carbohydrate Part as Dengue Virus E Protein Inhibitors: Synthesis and Antiviral Activity.

Dengue virus (DENV) is one of the most geographically distributed mosquito-borne flaviviruses, like Japanese encephalitis virus (JEV), and Zika virus (ZIKV). In this study, a library of the known and novel Glycyrrhizic acid (GL) derivatives bearing amino acid residues or their methyl/ethyl esters in the carbohydrate part were synthesized and studied as DENV inhibitors in vitro using the cytopathic effect (CPE), viral infectivity and virus yield assays with DENV1 and DENV-2 in Vero E6 and A549 cells. Among the GL conjugates tested, compound hits GL-D-ValOMe 3, GL-TyrOMe 6, GL-PheOEt 11, and GL-LysOMe 21 were discovered to have better antiviral activity than GL, with IC50 values ranging from <0.

Abietic, maleopimaric and quinopimaric dipeptide Ugi-4CR derivatives and their potency against influenza A and SARS-CoV-2.

A set of 12 abietane diterpene derivatives have been synthesised by the Ugi-four component reaction (Ugi-4CR) and tested for cytotoxicity and activity against influenza virus A/Puerto Rico/8/34 (H1N1) and SARS-CoV-2 pseudovirus. Five dipeptide derivatives demonstrated a selectivity index (SI) higher than 10 and IC values from 2 to 32 μM against influenza virus. Compound was found to be a lead with SI of 200, and time-of-addition experiments showed the viral entry into the cell and the binding of the virus to the receptor as a possible target.

Synthesis and evaluation of diterpenic Mannich bases as antiviral agents against influenza A and SARS-CoV-2.

A chemical library was constructed based on the resin acids (abietic, dehydroabietic, and 12-formylabietic) and its diene adducts (maleopimaric and quinopimaric acid derivatives). The one-pot three-component CuCl-catalyzed aminomethylation of the abietane diterpenoid propargyl derivatives was carried out by formaldehyde and secondary amines (diethylamine, pyrrolidine, morpholine, and homopiperazine). All compounds were tested for cytotoxicity and antiviral activity against influenza virus A/Puerto Rico/8/34 (H1N1) in MDCK cells and SARS-CoV-2 pseudovirus in BHK-21-hACE2 cells.

Selective synthesis of A-ring -arylidene derivatives from β-sitosterol and their activity.

A series of 24-ethylcholest-4-ene-3,6-dione 2-arylidene-derivatives has been synthesized by a Claisen-Schmidt reaction from a natural phytosterol β-sitosterol with yields of 80-85%. The structure of the obtained compounds was confirmed by NMR spectroscopy, including two-dimensional correlation experiments. The synthesized compounds were evaluated for their cytotoxicity and α-glucosidase inhibitory activity.

Can Modern Molecular Modeling Methods Help Find the Area of Potential Vulnerability of Flaviviruses?

Flaviviruses are single-stranded RNA viruses that have emerged in recent decades and infect up to 400 million people annually, causing a variety of potentially severe pathophysiological processes including hepatitis, encephalitis, hemorrhagic fever, tissues and capillaries damage. The family is represented by four genera comprising 89 known virus species. There are no effective therapies available against many pathogenic flaviviruses.

Borneol Ester Derivatives as Entry Inhibitors of a Wide Spectrum of SARS-CoV-2 Viruses.

In the present work we studied the antiviral activity of the home library of monoterpenoid derivatives using the pseudoviral systems of our development, which have glycoproteins of the SARS-CoV-2 virus strains Wuhan and Delta on their surface. We found that borneol derivatives with a tertiary nitrogen atom can exhibit activity at the early stages of viral replication. In order to search for potential binding sites of ligands with glycoprotein, we carried out additional biological tests to study the inhibition of the re-receptor-binding domain of protein S.

Analysis of Electrophysiological Mechanisms of N-Deacetyllapaconitine Monochlorhydrate, the Main Metabolite of Lappaconitine Hydrobromide.

In in vitro experiments on isolated rat hippocampal neurons, we studied the electrophysiological mechanisms of the antiarrhythmic effects of N-deacetyllappaconitine monochlorhydrate (DALCh), active metabolite of lappaconitine hydrobromide (allapinin). Electrical activity of neurons was recorded by the patch-clamp method in the whole cell configuration. It was shown that DALCh increased the duration of both slow and fast depolarization phases and decreased the amplitude of the action potential.

Polyfluoroalkylated antipyrines in Pd-catalyzed transformations.

In the direct C-H arylation with arylhalogenides in the presence of Pd(OAc), trifluoromethyl-containing antipyrine reacts very slowly and incompletely owing to the low nucleophilicity of its C4 center. However, it was effective in modifying polyfluoroalkyl-substituted 4-bromo- and 4-iodo antipyrines by the Suzuki and Sonogashira reactions. It was established that using Pd(dba) as catalyst and XPhos as phosphine ligand was the optimal catalytic system for the synthesis of 4-aryl- and 4-phenylethynyl-3-polyfluoroalkyl-antipyrines.

Newly synthesised oxime and lactone derivatives from dipterocarpol as anti-diabetic inhibitors: experimental bioassay-based evidence and theoretical computation-based prediction.

-derived products are expected to exhibit anti-diabetes properties. Natural dipterocarpol (1) was isolated from collected in Quang Nam province, Vietnam; afterwards, 20 derivatives including 13 oxime esters (2 and 3a-3m) and 7 lactones (4, 5, 6a-6e) were semi-synthesised. Their inhibitory effects towards diabetes-related proteins were investigated experimentally (α-glucosidase) and computationally (3W37, 3AJ7, and PTP1B).

Polymerization of new aniline derivatives: synthesis, characterization and application as sensors.

This work is focused on modifying aniline monomers with various characteristics that allows one to study the effect of the substituent on the respective polymer. A series of new polyaniline (PANI) derivatives based on an -substituted aniline derivative, 2-(1-methylbut-2-en-1-yl)aniline, were synthesized and characterized. The structures and composition of the polymers that we synthesized were confirmed by elemental analysis, proton nuclear magnetic resonance (H NMR) spectroscopy, carbon nuclear magnetic resonance (C NMR) spectroscopy, Fourier-transform infrared spectroscopy (FT-IR), and ultraviolet-visible spectroscopy (UV).

Design, Synthesis, and Biological Evaluation of (+)-Camphor- and (-)-Fenchone-Based Derivatives as Potent Orthopoxvirus Inhibitors.

In this work, a library of (+)-camphor and (-)-fenchone based N-acylhydrazones, amides, and esters, including para-substituted aromatic/hetaromatic/cyclohexane ring was synthesized, with potent orthopoxvirus inhibitors identified among them. Investigations of the structure-activity relationship revealed the significance of the substituent at the para-position of the aromatic ring. Also, the nature of the linker between a hydrophobic moiety and aromatic ring was clarified.

Azepanodipterocarpol is potential candidate for inhibits influenza H1N1 type among other lupane, oleanane, and dammarane A-ring amino-triterpenoids.

A series of lupane-, oleanane- and dammarane-based triterpenoids with 3β-amino, A-ring azepano- and 3,4-seco-fragments has been synthesized and evaluated for antiviral activity against influenza A(H1N1) virus. It was found that azepanodipterocarpol 8 and 3β-amino-28-oxoallobetulin 11 showed antiviral activity with IC 1.1 and 2.

Hydrogels on the Base of Modified Chitosan and Hyaluronic Acid Mix as Polymer Matrices for Cytostatics Delivery.

The development of biodegradable polysaccharide hydrogel matrices for cytostatic delivery can improve the therapeutic results of patients by prolonging the action of the drug, reducing its toxicity and providing additional biological activity by polysaccharides. In this work, N-succinyl chitosan/hyaluronic acid dialdehyde/cytostatic formulations have been prepared using two different chitosan grades (30 kDa and 150 kDa) and hyaluronic acid dialdehyde. The interaction of amino groups of N-succinyl chitosan and aldehydes of hyaluronic acid resulted in the formation of azomethine bonds and was demonstrated using C NMR.