The main results of the many years' studies of the scientific school of Academician Mikhail G. Voronkov in the field of two subgroups of the atrane family (protatranes and hydrometallatranes) as well as the results of research in continuation of the studies initiated by Academician M. G. Voronkov have been summarized and presented. Long-term studies of atranes under the leadership of M. G. Voronkov have led to the discovery of their unique biological activity and the creation of a series of unique original drugs and means of agricultural chemicalization: biostimulants and adaptogens for agricultural plants, animals, useful insects and microorganisms.

The catalytic properties of iron ions in the oxidative destruction of the active pharmaceutical ingredient paracetamol, in the presence of hydrogen peroxide have been investigated. It was found that in the presence of a homogeneous catalyst, the oxidation degree reaches more than 98%. The dependence of the oxidation efficiency on the concentration of the catalysts (hydrogen peroxide and ferrous ions) has been determined. A scheme for the treatment of pharmaceutical effluents is proposed, including the stages of homogeneous ozonation, coagulation of oxidative destruction and filtration products, and adsorption on activated carbon. The concentration of paracetamol and the chemical oxygen demand in the model solutions after treatment does not exceed the maximum permissible levels.

A review article, containing information on the options, possibilities, and prospects for the development of antibacterial finishing of textile materials, is presented. A wide range of products designed to impart antibacterial, antimicrobial, and antiviral properties to textile materials is considered. The main factors determining the appropriate decision on the technological and functional choice of the protective composition are presented, including the nature of the fiber-forming polymer, the tasks that the resulting material is designed to solve, and its application options. Compositions providing the required effect of destruction of the pathogenic flora and their application technologies are described. Special attention is paid to antimicrobial agents based on silver nanoparticles. Nanoparticles of this metal have a detrimental effect on antibiotic-resistant strains of bacteria; their effectiveness is higher as compared to a number of well-known antibiotics, for example, penicillin and its analogues. Silver nanoparticles are harmless to the human body. Acting as an inhibitor, they limit the activity of the enzyme responsible for oxygen consumption by single-cell bacteria, viruses, and fungi. In this case, silver ions bind to the outer and inner proteins of the bacterial cell membranes, blocking cellular respiration and reproduction. Various options to apply microencapsulation methods for the implementation of antibacterial finishing are considered, including: phase separation, suspension crosslinking, simple and complex coacervation, spray drying, crystallization from the melt, evaporation of the solvent, co-extrusion, layering, fluidized bed spraying, deposition, emulsion and interphase polymerization, layer-by-layer electrostatic self-assembly etc. All presented technologies are at various development stages-from the laboratory stage to production tests, they all have certain advantages and disadvantages. The accelerated development and implementation of the described methods in production of textile materials is relevant and is related to the existing complex epidemiological situation in the world.

Novel quinolone derivatives have been designed and readily synthesized according to a simple protocol including -alkylation and Claisen rearrangement processes. Structures of the synthesized compounds have been confirmed by IR, H and C NMR, and mass spectra. The new products have been tested for their antioxidant activity, and two of those demonstrate high antioxidant activity.

Novel porphyrin compounds containing benzothiazole, benzoxazole, and benzimidazole moieties have been prepared and their structures have been confirmed. Molecular docking of non-symmetric hetaryl-substituted porphyrins and chlorin e6 with SARS-CoV-2 helicase has been carried out. The affinity of hetaryl-substituted porphyrins to this protein has been found significantly higher than that of the drugs approved by the FDA and chlorin e6. The structure of the complexes of SARS-CoV-2 helicase with the considered macroheterocyclic compounds has been analyzed. Possible ways to inhibit and photoinactivate SARS-CoV helicase have been suggested basing on the localization of porphyrins and chlorin e6 in the helicase domains.

A regioselective method for the synthesis of esters of quercetin and myricetin at the hydroxy group in the position 3 was developed. As acids participating in the esterification reaction, 2-hydroxybenzoic (salicylic), 4-hydroxybenzoic, 2,6-dihydroxybenzoic, 3,4-dihydroxybenzoic (procatechuic), 3,4,5-trihydroxybenzoic (gallic) acids were used. A new series of quercetin and myricetin esters were obtained.

The results of experimental studies of the interaction of the S-protein with a monohetaryl-substituted porphyrin containing a benzimidazole residue are presented. It has been revealed that the S-protein forms high-affinity complexes with the specified porphyrin. The porphyrin binding by the SARS-CoV-2 S-protein has proceeded stepwise; at the first stage, the driving force of the complexation is electrostatic interaction between the surface negatively charged regions of the protein and cationic substituents of the porphyrin. At the second stage, the target complex of the S-protein with the porphyrin is formed. It has been established that the introduction of 5-[4'-(-methyl-1,3-benzimidazol-2-yl)phenyl]-10,15,20-tri-(-methyl-3'-pyridyl)porphyrin triiodide into a solution of the S-protein complex with the angiotensin-converting enzyme leads to the replacement of the latter with the porphyrin. Displacement of the angiotensin-converting enzyme from the complex with the S-protein under the action of 5-[4'-(-methyl-1,3-benzimidazol-2-yl)phenyl]-10,15,20-tri-(-methyl-3'-pyridyl)porphyrin triiodide is the experimental evidence for the porphyrin binding at the receptor-binding domain of the S-protein.

The enthalpies of sublimation of five substituted pyridine oxides were determined by the Knudsen effusion method with mass spectrometric control of the vapor composition within the framework of the second law of thermodynamics. The sublimation enthalpy of mono-substituted compounds 4-X-PyO depends on the nature of the substituent X and increases in the order CH→NO→OCH. A difference is noted in the nature of dissociative ionization of disubstituted derivatives 2-CH-4-NOPyO and 3-CH-4-NOPyO. The relationship between the packing of molecules in crystals and the Δ° values is considered.

New thiazole and thiadiazole derivatives bound to the acetanilide moiety were synthesized and evaluated for their cytotoxic activity. The precursor -(4-acetamidophenyl)-'-phenylthiourea () was cyclocondensed with ethyl bromoacetate to afford a mixture of the two isomers, 2-(4-acetamidophenylimino)-3-phenylthiazolidin-4-one (, 23%) and 3-(4-acetamidophenyl)-2-phenyliminothiazolidin-4-one (, 71%). The Knoevenagel reaction of with various aromatic aldehydes afforded 5-arylidene-2-phenyliminothiazolidin-4-one derivatives -. Intramolecular cyclization of thiourea scaffold with chloroacetone and/or phenacyl chloride gave the conforming thiazole derivatives and . A new series of thiadiazole derivatives - and - was synthesized by the reaction of -(4-acetamidophenyl)--phenylthiourea with selected derivatives of hydrazonoyl halide in ethanol and triethylamine. The structures of the synthesized thiazole and thiadiazole compounds were elucidated by their compatible spectral data. The cytotoxic activity of the synthesized thiazole and thiadiazole derivatives was screened against four human cancer cell lines and showed promising results. Thiazolidin-4-one compound showed the strongest cytotoxic effects on hepatocellular carcinoma (IC = 8.80 ± 0.31 μg/mL), mammary gland breast cancer (IC = 7.22 ± 0.65 μg/mL) and colorectal carcinoma (IC = 9.35 ± 0.61 μg/mL) cell lines.

s of new 4-quinolone derivatives was synthesized by conventional heating method. For the synthesized compounds, we performed pharmacokinetic prediction, SAR and antimicrobial assay. The presence of halogen elements plays a key role in the biological activity that is clear by in vitro analysis. Target compounds exhibit moderate to significant activity near to standard marketed drugs like amoxycillin, chloramphenicol, ciprofloxacin, norfloxacin, griseofulvin, and nystatin.

Based on six representatives of 2-oxonicotinonitriles, the effect of the nature of the substituent in the fourth position of the pyridine system on the photophysical characteristics was studied. The role of the donor/acceptor nature of the substituent and the solvent nature in the absorbing and fluorescent properties of the compounds was shown.

With the aim of optimizing the technique for the synthesis of selenium nanoparticles stabilized with cocamidopropyl betaine, a multifactorial experiment with three input parameters and three levels of variation was carried out. The selenous acid, cocamidopropyl betaine, and ascorbic acid concentrations were considered as input parameters. The output parameters were the average hydrodynamic radius of the particles ( ) and ζ-potential. Photon correlation spectroscopy analysis revealed monomodal size distribution in all the samples. It was shown that the average hydrodynamic radius is most strongly influenced by the concentrations of selenous and ascorbic acids. The minimal size of the selenium nanoparticles ( ≤ 20 nm) is achieved at selenous acid concentration of 0.05 to 0.15 M and at ascorbic acid concentrations of 0.0332 to 0.5 M. Acoustic and electroacoustic spectroscopy examination showed that the technique proposed allows formation of both positively (ζ-potential = +29.71 mV) and negatively (ζ-potential = -2.86 mV) charged nanoparticles. It was found that the ζ-potential of the selenium nanoparticles depends very heavily on the concentrations of the stabilizer and of selenous acid. For obtaining positively charged selenium nanoparticles the selenous acid concentration should not exceed 0.15 M and the cocamidopropyl betaine concentrations should be greater than 0.12 M. Negatively charged selenium nanoparticles are formed at selenous acid concentrations above 0.15 M and at cocamidopropyl betaine concentration under 0.12 M. The micelle structure for the positively charged and negatively charged selenium nanoparticles was proposed.

This paper represents a convenient method for the synthesis of -[1-(2-acetyl-4,5-dimethoxyphenyl)propan-2-yl]benzamide and its Cu(II) complex. In silico analysis predicted spasmolytic activity for the compound. Based on the in silico calculations, the importance of the predicted ketoamide, and our previous experiments, we synthesized the ketoamide via -acylation of -[1-(3,4-dimethoxyphenyl)propan-2-yl]benzamide with acetic anhydride in polyphosphoric acid. We applied the title ketoamide in reaction with Cu(II) varying the solvents. We found that the reaction leads to the formation of a coordination compound when the ligand dissolved in DMSO reacts with a water solution of CuCl in an alkaline environment in a molar ratio M : L : OH = 1 : 2 : 2. The structures of the new compounds are discussed based on their melting points, IR, H, C NMR and Raman spectral data.

A series of 1,3,4-oxadiazole bridged pyrazole/isoxazole bearing quinoline derivatives has been designed and synthesized by a clean and convenient method. Structures of the newly synthesized compounds have been confirmed by FTIR, H and C NMR, and HRMS spectral data. The titled compounds have been evaluated for their molecular docking guided antimicrobial and anti-inflammatory activity. One of 1,3,4-oxadiazole bridged quinolinyl-pyrazole derivatives has interacted efficiently with protein (PDB file: 1KZN), and has been characterized by good antimicrobial activity against the majority of the tested pathogens. Another product has exhibited excellent anti-inflammatory activity.

Computational study of some details of the cyclization reaction between 3,5-diacetyl-2,6-dimethylpyridine and salicylic aldehyde in an acidic medium was performed by the DFT RB3LYP/6-31G method using the Gaussian-2016 software package. It was shown that protonation of the pyridine nitrogen atom leads to a significant increase in the charge of the hydrogen atom of the 2-methyl group of pyridine and the methyl acetyl group. This leads to the growth of the methyl group CH-acidity and enolization of the acetyl group. It was also found that the protonated tautomeric enol form of 3,5-diacetyl-2,6-dimethylpyridine gives a stable pre-reaction complex with salicylic aldehyde due to the formation of three hydrogen bonds. The formation of this pre-reaction complex, apparently, leads to the implementation of the Knoevenagel reaction, instead of the alternative possible Claisen-Schmidt reaction of salicylic aldehyde at the acetyl group of pyridine. The possible biological activity of the previously obtained cyclization products was evaluated by molecular docking using the AutoDock Vina software. Some cyclization products showed higher values of the binding affinity with the selected target proteins in comparison with the known antiviral drugs Nevirapine and Favipiravir. The results obtained confirm the correctness of the proposed cyclization mechanism between 3,5-diacetyl-2,6-dimethylpyridine and salicylic aldehyde. This also makes it possible to assess the prospects of previously obtained derivatives of epoxybenzo[7,8]oxocino[4,3-]pyridine as synthetic analogs of natural integrastatins A, B for further synthesis and study of their antiviral activity.

The spectral characteristics of dithiomalondianilide (,'-diphenyldithiomalonodiamide) were studied, and the dissociation constant was determined by potentiometric titration. Quantum-chemical methods at the B3LYP-D3BJ/6-311+G (2d,p) level were used to calculate the molecular geometry and vibrational spectra of the most stable tautomeric forms of dithiomalondianilide. The bioavailability parameters were calculated, and possible protein targets were predicted by the protein ligand docking method.

Sequential reaction of 2-chlorobenzaldehyde, cyanothioacetamide, and malononitrile dimer in the presence of an excess of -methylmorpholine resulted in the formation of -methylmorphlinium salt of 2-amino-4-(2-chlorophenyl)-6-(dicyanomethyl)-1,4-dihydropyridine-3,5-dicarbonitrile. The resulting salt reacts under Mannich conditions with primary amines and an excess of formaldehyde to form substituted 2-alkylamino-4-(dicyanomethylene)-3,7-diazabicyclo[3.3.1]non-2-ene-1,5-dicarbonitriles. Structure of the key compound was confirmed by single crystal X-ray diffraction analysis.

Isolated polynuclear binary heterocyclic compounds containing thiazole building block combined with benzofuran, pyrrole, thiazole, or thiophene via carboxamide and/or secondary amine as a junction are presented. The synthetic strategy of those is based on utilization of 2-chloroacetamido-4-phenylthiazole in the synthesis of binary heterocyclic compounds by cyclocondensation with salicylic aldehyde, acetonitrile derivatives, ammonium thiocyanate, 3-mercaptoacrylonitrile derivatives, and/or 3-mercaptoacrylate derivatives. The prepared binary thiazole-based heterocycles have been studied as protease (M) inhibitors by molecular docking for visualization of their orientation and interactions with COVID-19 units using hydroxychloroquine as a reference molecule.

Based on the acid-catalyzed reaction of functionalized aminoacetals with -nucleophiles, a series of new diarylmethane derivatives with a taurine fragment were synthesized, the structure of which was established by NMR spectroscopy method.

Transition metals such as Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Zn(II), Cd(II), and Hg(II) have been reacted with gibberellic acid (HGA) to give novel complexes, and those have been characterized by physical, spectral and analytical methods. The plant hormone gibberellate acts as a deprotonated bidentate ligand in the complexation reaction with central metal ions in the ratio 1 : 2 (M : GA). The complexes [M(GA)(HO)], where [M = Mn(II), Co(II), and Ni(II)] form octahedral structures, while [M(GA)] complexes [M = Zn(II), Cd(II), and Hg(II)] display four-coordination geometry. The octahedral structures of Cr(III) and Fe(III) complexes are characterized by the general formula [M(GA)(HO)(Cl)]. Computational study carried out has determined possible interactions of the complexes with COVID-19 (6LU7).

Mechanochemistry is an eco-friendly and solventless method. In the present study, the surface of a custom-made closed mortar and pestle is used as a catalyst to synthesize thiazolidinone-triazole derivatives successfully. The compounds were subjected to potential antidiabetic activity. The results showed that -chloro-substituted derivative () is most active with IC values of 10±1.56. All three compounds - with a maximum of 20% inhibition for ALR1 represent superior selectivity toward the targeted ALR2 to act as a lead in the search for new antidiabetic agents.