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Journal articles on the topic 'Lipinskiy V'

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Published: 28 May 2022

Last updated: 31 July 2025

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1

Belik, A. "Realism and utopia statist concepts V. Vinnichenko, V. Lipinski, D. Dontsov." Scholarly Works of the Faculty of History, Zaporizhzhia National University 50 (2018): 70–83. http://dx.doi.org/10.26661/swfh-2018-50-004.

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2

Ніколенко, В. В. "V. K. Lypynsky’s sociological thought: constitutional state, hetmanat, the grainproducing class." Grani 22, no. 4 (2019): 74–82. http://dx.doi.org/10.15421/171945.

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The article presents the sociological aspects of the scientific heritage of V. K. Lipinsky. Emphasis is placed on the great theoretical and practical contribution of V. K. Lipinsky to the processes of creating an independent Ukrainian state. The priority attention of the scientist to the use of sociological, political, and historical methods of scientific knowledge is noted. Certain research questions that were in the center of his attention are underlined, namely: the effective construction of state institutions; consolidation and solidarity of the Ukrainian society; patriotism education; dev

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3

Lipinski, V., B. A. Souza, F. Corrêa, and E. S. Dutra. "Thanatosis behavior during oviposition in Tropidurus itambere Rodrigues, 1987." Brazilian Journal of Biology 82 (December 31, 2022): 1–3. https://doi.org/10.1590/1519-6984.233930.

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Lipinski, V., Souza, B. A., Corrêa, F., Dutra, E. S. (2022): Thanatosis behavior during oviposition in Tropidurus itambere Rodrigues, 1987. Brazilian Journal of Biology (e233930) 82: 1-3, DOI: 10.1590/1519-6984.233930, URL: http://dx.doi.org/10.1590/1519-6984.233930

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4

Lipinski, Marek. "Methods for the validation of squid Age from statoliths." Journal of the Marine Biological Association of the United Kingdom 66, no. 2 (1986): 505–26. http://dx.doi.org/10.1017/s0025315400043095.

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INTRODUCTIONGrowth laminations were first noted in squid statoliths by Clarke (1966), who suggested they might be useful for age determination. Spratt (1978) presented a detailed age analysis ofLoligo opalescensBerry, 1911, arguing that some rings in the cephalopod statolith were deposited daily, as are fish otoliths (Panella, 1971). Growth rings inIllex illecebrosus(Lesueur, 1921) statoliths were illustrated by Lipinski (1978) with similar interpretation to that of Spratt (op. cit.). Several further attempts have been made to validate and/or to discuss age determination from statoliths (Hurle

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Symonovych, Dmytro. "THE BEGINNING OF THE ESTABLISHMENT OF V. LYPYNSKYI'S CONSERVATIVE INDEPENDENCE IN THE INTERPRETATION OF MODERN HISTORIOGRAPHY." Naukovì zapiski Nacìonalʹnogo unìversitetu "Ostrozʹka akademìâ". Serìâ Ìstoričnì nauki 1, no. 34 (2023): 86–94. http://dx.doi.org/10.25264/2409-6806-2023-34-86-94.

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The article attempts to analyze the works of modern researchers of the beginnings of Vyacheslav Lypynskyi's life (childhood, high school, and student periods) in terms of their assessments of the circumstances, factors, and ways of shaping those features of his worldview that contributed to his formation as a leading figure of the Ukrainian conservative and independent movement of the first third of the twentieth century. Their interpretation of the critical aspects of the problem under study is considered, and in this sense, the main approaches of modern Lipinski scholarship are defined.

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Kotenko, Tetyana Viktorivna. "Theory of elites in the concept of Viacheslav Lypinsky." Alʹmanah prava, no. 15 (September 1, 2024): 279–84. https://doi.org/10.33663/2524-017x-2024-15-279-284.

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The article analyzes Vyacheslav Lipinsky’s political views regarding the role and place of the political elite in forming the Ukrainian state. It examines the concepts, nature, and essence of the «elite theory» category, which forms the basis of Vyacheslav Lipinsky’s scientific concept and its potential use in contemporary state-building practice. Vyacheslav Lipinsky’s ideas, which are associated with analyzing their origins, are characterized. The first conceptual approaches to clarifying the role and significance of the political elite, associated with the names of G. Mosca and V. Pareto, ar

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Kovtun, Yuriy. "Understanding the role of the Catholic Church in the processes of state formation in the religious traditionalism of V. Lipinsky." Ukrainian Religious Studies, no. 66 (February 26, 2013): 135–42. http://dx.doi.org/10.32420/2013.66.260.

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The processes of reform and crisis phenomena in the Ukrainian society at the end of the XX - the beginning of the XXI century suggest that a stable ideological and theoretical foundation is lacking for the stable functioning of the modern Ukrainian state and the formation of civil society. On the basis of this, the state-building concepts of the prominent Ukrainian thinkers of the 20th century become very important. The personal place among them is the creative heritage of Vyacheslav Lypynsky, who, despite the dominant socialist approaches to the transformation of Ukrainian society at that tim

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Ganesh, D. Mote. "In Silico Molecular Modeling Study on Isatin Derivatives as Anti-Covid Agents Based on Qsar and Docking Analysis." Der Pharma Chemica 14, no. 3 (2022): 15. https://doi.org/10.4172/0975-413X.14.3.1-15.

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COVID 19 disease caused by novel SARS-CoV-2.It rapidly infects mammals and causes serious illness and death. The drug development against COVID 19 is a challenging task as COVID 19 disease spreads rapidly throughout the world. Drug development is a time-consuming process, but pandemics create an emergency to Design drugs as earlier as possible. In silico drug design is the key to fast-developing drug candidates. Corona virus’s main protease plays a vital function in the viral reproduction cycle and is a potential target for COVID 19 inhibitor development. Most of the Isatin derivatives s

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D., Mote Ganesh, Savale Shubhangi S., Kharat Shubhangi S., and Bandgar Aditya A. "In Silico Molecular Modeling Study on Isatin Derivatives as Anti-Covid Agents Based on Qsar and Docking Analysis." Der Pharma Chemica 14, no. 3 (2022): 15. https://doi.org/10.5281/zenodo.13354322.

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COVID 19 disease caused by novel SARS-CoV-2.It rapidly infects mammals and causes serious illness and death. The drug development against COVID 19 is a challenging task as COVID 19 disease spreads rapidly throughout the world. Drug development is a time-consuming process, but pandemics create an emergency to Design drugs as earlier as possible. In silico drug design is the key to fast-developing drug candidates. Corona virus’s main protease plays a vital function in the viral reproduction cycle and is a potential target for COVID 19 inhibitor development. Most of the Isatin derivatives s

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10

Ісаєнко, Максим Миколайович. "ХРИСТОЦЕНТРИЧНИЙ ІДЕАЛ ДЕРЖАВОТВОРЕННЯ В КОНЦЕПЦІЇ В’ЯЧЕСЛАВА ЛИПИНСЬКОГО". Філософські обрії, № 34 (12 грудня 2015): 119–26. https://doi.org/10.5281/zenodo.35299.

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The processes of creation of the state, law and rights are defined relational links between them, caused, in turn, a constant spiritual, which feeds the national existence. Ukrainian national idea, which defines these areas are still a number of specific reasons for the socio-historical character is a real terra incognita for the philosophy and jurisprudence. According to V. Lipinski, from folk tales in the soul of every Ukrainian there is the image of the Ukrainian state. Therefore, it is not a product imposed by ideol-ogy but is a form of ancestral memory. In support of this idea, reference

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Sandy, Semuel, and Irawaty Wike. "In Silico Antimalarial 5,7-Dihydroxy-2- (4-Hydroxyphenyl) -6- (3-Methylbut-2-Enyl) Chromen-4-one (6-Prenylapigenin) Plant Cannabis Sativa L. (Cannabaceae) Enzyme Inhibitor of DHFR Plasmodium Vivax." Biomedical and Pharmacology Journal 14, no. 1 (2021): 445–53. http://dx.doi.org/10.13005/bpj/2144.

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Purpose: In this review, the compound 6-prenylapigenin was identified as a potential wild type Plasmodium vivax dihydrofolate reductase (PDB ID: 2BL9) protein receptor inhibitor through a series of computer-assisted drug design processes, to highlight important interactions between ligand and 2BL9 receptor protein and determine drug properties. proposed as a 2BL9 inhibiting agent. Methods: The in silico study used secondary data including Plasmodium vivax protein receptor (PDB ID: 2BL9), 6-Prenylapigenin compound (PubChem ID: 10382485), and native ligand Pyrimethamine (PubChem ID: 4993) as a c

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Sabrina Benouis, Sabrina Benouis, Fouad Ferkous Fouad Ferkous, Khairedine Kraim Khairedine Kraim, Ahmed Allali Ahmed Allali, and Youcef Saihi Youcef Saihi. "Molecular Docking Studies on Gingerol Analogues toward Mushroom Tyrosinase." Journal of the chemical society of pakistan 42, no. 2 (2020): 214. http://dx.doi.org/10.52568/000630.

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The gingerol presents the starting point of our work which aims to discover new inhibitors of the tyrosinase enzyme. Therefore, we have studied the activity of gingerol derivatives as inhibitors against mushroom tyrosinase based on the molecular docking. Molecular docking studies were performed on a series of gingerol analogues retrieved from Zinc database (with 70% as similarity threshold). The gingerol analogues were docked within the active site region of mushroom tyrosinase (PDB: 2Y9X) using Molegro Virtual Docker V.5.0. The results of molecular docking studies revealed that some analogues

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Sabrina Benouis, Sabrina Benouis, Fouad Ferkous Fouad Ferkous, Khairedine Kraim Khairedine Kraim, Ahmed Allali Ahmed Allali, and Youcef Saihi Youcef Saihi. "Molecular Docking Studies on Gingerol Analogues toward Mushroom Tyrosinase." Journal of the chemical society of pakistan 42, no. 2 (2020): 214. http://dx.doi.org/10.52568/000630/jcsp/42.02.2020.

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The gingerol presents the starting point of our work which aims to discover new inhibitors of the tyrosinase enzyme. Therefore, we have studied the activity of gingerol derivatives as inhibitors against mushroom tyrosinase based on the molecular docking. Molecular docking studies were performed on a series of gingerol analogues retrieved from Zinc database (with 70% as similarity threshold). The gingerol analogues were docked within the active site region of mushroom tyrosinase (PDB: 2Y9X) using Molegro Virtual Docker V.5.0. The results of molecular docking studies revealed that some analogues

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14

Yousif, Omar A., Monther F. Mahdi, and Ayad M. R. Raauf. "Design, synthesis, preliminary pharmacological evaluation, molecular docking and ADME studies of some new pyrazoline, isoxazoline and pyrimidine derivatives bearing nabumetone moiety targeting cyclooxygenase enzyme." Journal of Contemporary Medical Sciences 5, no. 1 (2019): 41–50. http://dx.doi.org/10.22317/jcms.v5i1.521.

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Nabumetone is a prodrug, its active metabolite 6-methoxy-2-naphthylacetic (6MNA) acid has low selectivity toward COX-2 enzyme; PLP fitness was 67.36 Kcal/Mol. A series of pyrazolines, oxazolines and pyrimidines bearing nabumetone moiety have been designed, synthesized, and evaluated as a potential cyclooxygenase-2 (COX-2) inhibitors. These new compounds were evaluated for their in vivo anti-inflammatory activity and in vitro COX-2 selectivity through molecular docking via GOLD suite v. 5.6.2. All tested compounds in molecular docking exhibited significant activities compared with diclofenac, n

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15

Rampogu, Shailima, Thananjeyan Balasubramaniyam, and Joon-Hwa Lee. "Curcumin Chalcone Derivatives Database (CCDD): a Python framework for natural compound derivatives database." PeerJ 11 (August 17, 2023): e15885. http://dx.doi.org/10.7717/peerj.15885.

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We built the Curcumin Chalcone Derivatives Database (CCDD) to enable the effective virtual screening of highly potent curcumin and its analogs. The two-dimensional (2D) structures were drawn using the ChemBioOffice package and converted to 3D structures using Discovery Studio Visualizer V 2021 (DS). The database was built using different Python modules. For the 3D structures, different Python packages were used to obtain the data frame of compounds. This framework is also used to visualize the compounds. The webserver enables the users to screen the compounds according to Lipinski’s rule of fi

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16

Pendong, Christa Hana Angle, Elly Juliana Suoth, Fatimawali Fatimawali, and Trina Ekawati Tallei. "Network Pharmacology Approach to Understanding the Antidiabetic Effects of Pineapple Peel Hexane Extract." Malacca Pharmaceutics 2, no. 1 (2024): 24–32. http://dx.doi.org/10.60084/mp.v2i1.162.

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The increased interest in exploring alternative treatments for type 2 diabetes mellitus is accompanied by a rise in the prevalence of type 2 diabetes mellitus. Pineapple peel is one of the by-products of pineapple fruit and is known to possess potential for anti-diabetic activity. In this study, the n-hexane extract of pineapple peel was analyzed using network pharmacology methods to ascertain its potential in treating type 2 diabetes mellitus. The GC-MS analysis of the n-hexane extract of pineapple peel revealed the presence of 42 compounds, with 8 of them considered safe as they met the Lipi

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17

Mahaamnart, Thidathep, Siripit Pitchuanchom, Thanaset Senawong, Surapon Saensouk, and Mongkol Nontakitticharoen. "Cytotoxicity and Molecular Docking to Histone Deacetylase of Phytochemicals from Ventilago denticulata Leaves." Asian Journal of Chemistry 36, no. 1 (2023): 25–31. http://dx.doi.org/10.14233/ajchem.2024.30551.

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Phytochemical investigation of the ethyl acetate and methanol extracts of Ventilago denticulata leaves resulted in the isolation of five flavonoids (1-5) and three anthraquinones (6-8). Their structures were characterized using spectroscopic techniques including UV, IR, 1H NMR, 13C NMR, and 2D NMR, as well as mass spectrometry (MS). Among these, compounds 4 (rhamnetin) and 6 (frangulin B) emerged as potential HDAC inhibitors, displaying significant inhibitory activities against HeLa nuclear extract. Molecular docking with HDAC isoforms revealed their affinity, particularly for class II HDAC4 e

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18

Bondarchuk, Yaroslav. "DIPLOMATIC PRACTICES OF VIACHESLAV LYPYNSKYI IN THE ASSESSMENTS OF HISTORIANS." Naukovì zapiski Nacìonalʹnogo unìversitetu "Ostrozʹka akademìâ". Serìâ Ìstoričnì nauki 1, no. 32 (2021): 85–89. http://dx.doi.org/10.25264/2409-6806-2021-32-85-89.

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In recent years, researchers are increasingly focused on the Viacheslav Lypynskyi (Ukrainian politician, theorist of Ukrainian conservatism) : from practical political actions to a detailed study of theoretical reflections. They interested in various vectors of Lipin studies. It should be noted that V. Lypynskyi became sufficiently studied in recent years as the head of the Ukrainian Embassy in the Austro-Hungarian Empire. Scientists, on the work of which drawn attention in the relevant topic: Igor Ducks, Igor Girich, Tatyana Ostashko, Irina Interim and others. This article is aimed at summing

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Nguyen, Tiep K., Tran Hoang Lan, Hoang Tran, and Tran Phuong Thao. "Synthesis and evaluation of the acetylcholinesterase inhibitory effect of novel aromatic derivatives bearing a 2-(5-(pyridin-2- yl)-2H-tetrazol-2-yl)alkyl scaffold." Tạp chí Nghiên cứu Dược và Thông tin Thuốc 21 (January 3, 2025): 10–19. https://doi.org/10.59882/1859-364x/242.

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Acetylcholinesterase (AChE) is a key therapeutic target for developing new Alzheimer's disease (AD) treatments due to its regulatory function in acetylcholine hydrolysis. Based on the structure of AChE active site and the known AChE inhibitors phthalimide derivatives, three novel compounds (II, III, and V) bearing the 2-(5-(pyridin-2-yl)-2H-tetrazol-2-yl)alkyl scaffold were designed. These compounds were synthesized using a [3+2] cycloaddition, N-alkylation, and reductive amination reactions. Their purity and structure were confirmed using various analytical techniques, including thin layer ch

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Santra, Sourav, Sasti Gopal Das, Suman Kumar Halder, et al. "Structure-based assortment of herbal analogues against spike protein to restrict COVID-19 entry through hACE2 receptor: An in-silico approach." Acta Biologica Szegediensis 64, no. 2 (2021): 159–71. http://dx.doi.org/10.14232/abs.2020.2.159-171.

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On-going global pandemic COVID-19 has spread all over the world and has led to more than 1.97 million deaths till date. Natural compounds may be useful to protecting health in this perilous condition. Mechanism of shuttle entry of SARS-COV-2 virus is by interaction with viral spike protein with human angiotensin-converting enzyme-2 (ACE-2) receptor. To explore potential natural therapeutics, 213 important phytochemi-cals of nine medicinal plants Aconitum heterophyllum, Cassia angustifolia, Cymbopogon flexuosus, Cymbopogon martinii, Nux vomica, Phyllanthus urinaria, Swertia chirayita, Justicia

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Saliu, J. A. "DECIPHERING HUMAN ESTROGEN RECEPTOR-2 INHIBITOR FROM Momordica charantia: COMPUTATIONAL MODELS AGAINST BREAST CANCER." COAST JOURNAL OF THE SCHOOL OF SCIENCE 6, no. 1 (2024): 973–80. http://dx.doi.org/10.61281/coastjss.v6i1.4.

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HER-2, or Human Epidermal Growth Factor Receptor-2, is a constituent of the epidermal growth factor receptor family, possessing tyrosine kinase properties. Its over-expression has been correlated with breast cancer. On the other hand, the pharmacological potential of Momordica charantia has been attributed to the phytocompounds. Herein, the inhibiting potential of phytocompounds from M. charantia against HER-2 was investigated using computational approaches. Maestro Schrodinger software (2021 v 12.1) was used to perform molecular docking, molecular mechanics generalized Born surface area (MM/G

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Monteiro, Patrícia Queiroz, Edgar Schaeffer, Alcides José Monteiro da Silva, Carlos Roberto Alves, and Franklin Souza-Silva. "A Virtual Screening Approach to Evaluate the Multitarget Potential of a Chalcone Library with Binding Properties to Oligopeptidase B and Cysteine Proteinase B from Leishmania (Viannia) braziliensis." International Journal of Molecular Sciences 26, no. 5 (2025): 2025. https://doi.org/10.3390/ijms26052025.

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Leishmaniasis remains a significant public health problem in Brazil, particularly due to Leishmania (Viannia) braziliensis, which is associated with severe dermatological syndromes. The current treatments are limited by toxicity and uncertain efficacy, highlighting the need for new compounds with pharmacological potential. This study investigates chalcones as multitarget binding agents for oligopeptidase B (OPB) and cysteine proteinase B (CPB), which are critical pathogenic determinants of L. (V.) braziliensis. The methodology involved replacing methoxy groups with aryl motifs at various posit

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Praveen, Mallari, and Vijay Paramanik. "Molecular docking, dynamics, and drug-likeness studies of alprazolam derivatives as a potent anxiolytic drug against GABAA receptors." Brazilian Journal of Science 4, no. 1 (2024): 34–45. https://doi.org/10.14295/bjs.v4i1.681.

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GABAA receptors exhibit permeability to the chloride ion-gated channel, and an increase in excitability disrupts the ion gradients, hence contributing to the development of anxiety-related disorders. This study aims to repurpose potent inhibitors of alprazolam analogs, which were obtained from the PubChem database. These ligands are being investigated for their binding ability to the GABAA receptor. We employed molecular docking through Autodock vina V.4.2 software. The Swiss ADME server was utilized to assess the drug-likeness of the ligands. MDS was conducted using the iMODS platform. Compou

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Santos Bubniak, Lorena dos, Pâmela Cristina Gaspar, Ana Carolina Rabello de Moraes, et al. "Effects of 1,3,5-triphenyl-4,5-dihydro-1H-pyrazole derivatives on cell-cycle and apoptosis in human acute leukemia cell lines." Canadian Journal of Physiology and Pharmacology 95, no. 5 (2017): 548–63. http://dx.doi.org/10.1139/cjpp-2016-0222.

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Pyrazoline is an important 5-membered nitrogen heterocycle that has been extensively researched. Ten derivatives were synthesized and tested for antileukemic effects on 2 human acute leukemia cell lines, K562 and Jurkat. The most cytotoxic of these derivatives, compound 21, was chosen for investigation of cytotoxicity mechanisms. The results obtained with selectivity calculations revealed that compound 21 is more selective for acute leukemia (K562 and Jurkat cell lines) than for other tumor cell lines. Moreover, compound 21 was not cytotoxic to normal cell lines, indicating a potential use in

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Finch, Caleb E. "Gerontology in the U.S.S.R.: Physiology of Cell Aging . Vladimir V. Frolkis, Ed. Karger, Basel, 1984. viii, 206 pp., illus. $89.25. Interdisciplinary Topics in Gerontology, vol. 18. Translated from the Russian by Alexander Lipinsky." Science 228, no. 4706 (1985): 1421–22. http://dx.doi.org/10.1126/science.228.4706.1421.b.

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Finch, Caleb E. "Gerontology in the U.S.S.R.: Physiology of Cell Aging . Vladimir V. Frolkis, Ed. Karger, Basel, 1984. viii, 206 pp., illus. $89.25. Interdisciplinary Topics in Gerontology, vol. 18. Translated from the Russian by Alexander Lipinsky." Science 228, no. 4706 (1985): 1421–22. http://dx.doi.org/10.1126/science.228.4706.1421-b.

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Rodrigues, Jane Stefani da Mata, and Eduardo Damasceno Costa. "Previsão in silico ADME/T de novos inibidores potenciais contra o vírus da dengue." Research, Society and Development 10, no. 4 (2021): e53010414459. http://dx.doi.org/10.33448/rsd-v10i4.14459.

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A dengue é uma doença emergente com grande impacto na saúde pública, com milhões de infecções virais ocorrendo anualmente, para a qual ainda não existe uma terapia eficaz. O presente estudo tem como objetivo realizar a predição das propriedades físico-químicas, farmacocinéticas e toxicológicas de candidatos a medicamentos contra dengue. 17 candidatos a fármacos anti-dengue foram desenvolvidos na plataforma PubChem Sketcher V.2.4®. Os parâmetros físico-químicos foram quantificados na plataforma Molinspiration®. Posteriormente, os parâmetros farmacocinéticos foram medidos usando a ferramenta Swi

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Dinesh, A., Srikanth Logesh Kumar, T. Geethanjali, et al. "<i>In-Vitro</i> and <i>In-Silico</i> Alpha Amylase and Alpha Glucosidase Inhibitory Activity of Baicaelin." Journal of Natural Remedies 22, no. 1 (2022): 23. http://dx.doi.org/10.18311/jnr/2022/26819.

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Diabetes mellitus is a metabolic disorder characterized by high blood glucose level in the body. It occurs due to the inadequate amount of insulin secreted in the body or resistance of insulin receptors. In the present study, Baicalein a flavone glycoside was evaluated for its effect on alpha-amylase and alpha-glucosidase enzymes using in-vitro assays by extracting respective enzymes from whole wheat and barley in combination with in-silico analysis. In-vitro alpha amylase inhibitory activity and in-vitro alpha glucosidase inhibitory activity was performed using acarbose as a standard drug. Th

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Hawash, Mohammed, Nidal Jaradat, Murad Abualhasan, et al. "Synthesis, chemo-informatics, and anticancer evaluation of fluorophenyl-isoxazole derivatives." Open Chemistry 19, no. 1 (2021): 855–63. http://dx.doi.org/10.1515/chem-2021-0078.

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Abstract The current study aimed to design and synthesize a novel series of fluorophenyl-isoxazole-carboxamide derivatives and evaluate their antiproliferative activities. Anticancer activities of the novel compounds were evaluated by MTS assay against four cancer cell lines, including liver (Hep3B, HepG2), cervical (HeLa), and breast (MCF-7), and α-fetoprotein tumor marker, cell cycle analysis, and annexin V tests. Chemo-informatics analysis showed that all synthesized derivatives 2a–2f obeyed Lipinski’s rule. Compound 2f was the most potent compound against Hep3B and Hep-G2 cancer cell lines

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Hernández, Martha Cecilia Rosales, Leticia Guadalupe Fragoso Morales, José Correa Correa Basurto, et al. "In Silico and In Vitro Studies of Benzothiazole-Isothioureas Derivatives as a Multitarget Compound for Alzheimer’s Disease." International Journal of Molecular Sciences 23, no. 21 (2022): 12945. http://dx.doi.org/10.3390/ijms232112945.

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Alzheimer’s disease (AD) is a progressive neurodegenerative disorder. Inhibiting acetylcholinesterase (AChE), amyloid beta (Aβ1-42) aggregation and avoiding the oxidative stress could prevent the progression of AD. Benzothiazole groups have shown neuroprotective activity whereas isothioureas groups act as AChE inhibitors and antioxidants. Therefore, 22 benzothiazole-isothiourea derivatives (3a–v) were evaluated by docking simulations as inhibitors of AChE and Aβ1-42 aggregation. In silico studies showed that 3f, 3r and 3t had a delta G (ΔG) value better than curcumin and galantamine on Aβ1-42

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Han, Xiao, Liang Liang Chi, Wei Tao Qin, et al. "Design, synthesis, crystal structure and biological evaluation of novel 4-arylaminoquin- azoline derivatives as potent cytotoxic agents." Bulletin of the Chemical Society of Ethiopia 37, no. 5 (2023): 1171–83. http://dx.doi.org/10.4314/bcse.v37i5.10.

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ABSTRACT. A series of novel 4-arylaminoquinazoline derivatives were synthesized by five-step reactions, the structure was characterized by IR, 1H NMR, MS and single crystal X-ray diffraction. The result of 5aX crystal was as follows: the crystal belongs to the monoclinic system, space group P21/c with a = 12.3637(4) Å, b = 12.7902(2) Å, c = 13.2240(5) Å, α = 90°, β = 117.030(5)°, γ = 90°, V = 1862.75(12) Å3, Z = 2, F(000) = 804.0, µ = 0.095 mm-1, S = 1.039, R = 0.0569, wR = 0.1535 for 8417 observed reflections with I > 2σ(I). The compound 5cX exhibited an excellent inhibitory effect on the

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Д.С., Коротков. "АНАЛІЗ СУЧАСНОГО ВИБОРЧОГО ПРОЦЕСУ В УКРАЇНІ В РЕТРОСПЕКЦІЇ ПОГЛЯДІВ В. ЛИПИНСЬКОГО". Сучасне суспільство 2, № 49 (2019): 108–18. https://doi.org/10.5281/zenodo.2537766.

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<em>The article analyses the current electoral process in Ukraine on the basis of the study of the electoral code of the Ukrainian nation. The election process is characterized both in the context of the legal (legal) framework and the mental (the level of political culture of the nation and its political values). The study attempted to give an author's interpretation of the concept of «</em><em>electoral code»</em><em> of the nation. It is emphasized that the «</em><em>electoral code»</em><em> of a nation is a historically formed model of electoral behaviour in the

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Oyinloye, Babatunji Emmanuel, Tayo Alex Adekiya, Raphael Taiwo Aruleba, Oluwafemi Adeleke Ojo, and Basiru Olaitan Ajiboye. "Structure-Based Docking Studies of GLUT4 Towards Exploring Selected Phytochemicals from Solanum xanthocarpum as a Therapeutic Target for the Treatment of Cancer." Current Drug Discovery Technologies 16, no. 4 (2019): 406–16. http://dx.doi.org/10.2174/1570163815666180801152110.

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Background: In recent years, there has been an exponential increase in the global burden of cancer which has been associated with several factors including environmental influence, aging, diet, infectious agents, hormonal imbalance and chronic inflammation, among others. Cancerous cells utilize more glucose for its proliferation and survival than normal cells. Thus, the regulation of glucose consumption of cancerous cells through the inhibition of glucose transporter-4-protein (GLUT4) encoded by solute carrier family-2-member-4-gene (Slc2a4) by selected phytochemicals from Solanum xanthocarpum

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Hanna, Jessica, Mazen Mohammed, and Kanar M. Alawad. "In silico screening, molecular dynamic simulation, and pharmacokinetic studies of new Schiff base derivatives from 2-(3-benzoylphenyl) propionic acid as tyrosyl-tRNA synthetase inhibitor." Turkish Computational and Theoretical Chemistry 9, no. 1 (2024): 19–28. https://doi.org/10.33435/tcandtc.1483530.

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Bacterial resistance is a major problem in hospitals and the community. Thus, much antibacterial research has focused on discovering new chemical agents and bacterial targets. Computational and structure-based design methods are used for the improvement of drug discovery. This work developed new Schiff base compounds from 2-(3-benzoylphenyl) propionic acid. The unique compounds were categorized as S and S(1-6). They were examined in silico for antibacterial activity on the tyrosyl-tRNA synthetase enzyme. Dynamic simulation and pharmacokinetic studies were also studied theoretically. In silico,

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Saadah, S., SM Tulandi, and RA Rohman. "Seven types of phenolic acid and inhibitory activity for protein tyrosine phosphatase 1B (PTP1B) from the stem of Sandoricum koetjape." IOP Conference Series: Earth and Environmental Science 1255, no. 1 (2023): 012070. http://dx.doi.org/10.1088/1755-1315/1255/1/012070.

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Abstract Sandoricum koetjape has been traditionally used in Indonesian medicine for generations. The stem was used as a remedy for helminthiasis, sneezing, stomachache, indigestion, abdominal pain, leucorrhea, colic, and fever in Indonesia. The purpose of this study was to identify the phenolic acids found in the stem of S. koetjape and to test their ability to inhibit the protein tyrosine phosphatase 1B (PTP1B). P-coumaric acid, caffeic acid, ferulic acid, chlorogenic acid, syringic acid, 4-hydroxybenzoic acid, and gallic acid were identified as phenolic acids found in the S. koetjape stem. T

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Aathira, KK, Suja Rani S, Divya Rajaselvi N, et al. "In silico Exploration of Essential Oil Constituents in Combating Multidrug-Resistant Staphylococcus aureus Infected Wounds." Journal of Phytopharmacology 13, no. 2 (2024): 90–96. http://dx.doi.org/10.31254/phyto.2024.13202.

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This research explores the multifaceted pharmacological actions of essential oils and its constituents, derived as secondary metabolites from aromatic plants, with a particular focus on their potent wound healing and antibacterial activities, elucidating their significance in therapeutic approach towards infected wounds. An in silico screening was carried out to identify the interaction between the bioactive essential oil contituents (EOC) such as cinnamaldehyde, citral, geraniol, linalool, and p-cymene, docked against various target proteins associated with antibiotic resistance and wound hea

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Utami, Wulandari Putri, Trina Ekawati Tallei, Grace Lendawati Amelia Turalaki, Lydia Estelina Naomi Tendean, Martha Marie Kaseke, and Diana Shintawati Purwanto. "Targeting Prostate Cancer with Rambutan Peel-Derived Compounds via Network Pharmacology." Malacca Pharmaceutics 3, no. 1 (2025): 42–49. https://doi.org/10.60084/mp.v3i1.262.

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Prostate cancer is a prevalent malignancy in men, originating in the prostate gland and often driven by genetic alterations and hormonal dysregulation. Rambutan (Nephelium lappaceum L.) peel, a byproduct of fruit consumption, has demonstrated potential anticancer activity. This study employed a network pharmacology-based in silico approach to evaluate the therapeutic potential of rambutan peel extract in prostate cancer treatment. Bioactive compounds were identified through database searches, and their biological activities were predicted using PASS Online. Pharmacokinetic and toxicity profile

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Wijayanti, Ernanin Dyah, Anna Safitri, Dian Siswanto та Fatchiyah Fatchiyah. "Virtual prediction of purple rice ferulic acid as anti-inflammatory of TNF-α signaling". Berkala Penelitian Hayati 27, № 2 (2021): 59–66. http://dx.doi.org/10.23869/bphjbr.27.2.20221.

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Purple rice is one of the main sources of ferulic acid (FA). Some studies reported anti-inflammatory properties of FA, but the interaction of FA with TNF-α signaling has not been elucidated. TNF-α is a target for anti-inflammatory drug research due to its major role in the inflammatory process. This study aims to investigate the interaction of FA with TNF-α and TNF-α receptor (TNFR) through in silico study and evaluate the drug-like properties and biological activity of FA. The interactions among FA (CID 445858), TNF-α (2AZ5), and TNFR (1NCF) were docked by Hex 8.0.0 Cuda, then visualized by D

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Premkumar, Balasekar, Chandrasekar Leela Priyanka, Calamur Nagarajan Nalini, and Mahalakshmi. "Exploring the therapeutic potential of phytoconstituents in treatment of polycystic ovarian syndrome: An study." Indian Journal of Pharmacy and Pharmacology 10, no. 2 (2023): 94–101. http://dx.doi.org/10.18231/j.ijpp.2023.020.

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Polycystic ovary syndrome (PCOS) is a prevalent condition among women of reproductive age, characterised by hyperinsulinemia, hyperandrogenism, menstrual irregularities, and long-term metabolic disturbances. At present, the conventional approach to managing PCOS involves implementing lifestyle changes, administering pharmacological interventions, and performing surgical procedures. Nevertheless, these therapies do not exhibit promising outcomes for the comprehensive eradication of it. Consequently, natural sources have been regarded as a highly esteemed means of medication and aid in enhancing

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Nabiya, Farnaz, Anchana Devi Chenniappan, and Rajamiriyam Marichamy. "Plant-derived Bioactive Compounds Targeting MMP-9 for Treatment of Endometrial Carcinoma: An In silico Study." Journal of Plant Science Research 38, no. 2 (2023): 701–15. http://dx.doi.org/10.32381/jpsr.2022.38.02.24.

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Endometrial cancer, also called uterine cancer, is the second most common and fourth leading cause of death among gynecological problems in the world. Matrix metalloproteinase-9 (MMP-9) has been found to play an important role in the formation and metastases of endometrial cancer. Thus, this study investigates the naturally anti-inflammatory compounds available from plant sources that can target the MMP-9 by various in silico approaches. The target 1L6J (Crystal structure of human matrix metalloproteinase-9) structure was retrieved from the PDB database. Five plant compounds were selected base

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Patel, Ketan. "Abstract 3170: DMSO 2.0 - An advanced DMSO product for 2D and 3D cell culture of PROTACs and hydrophobic drugs." Cancer Research 85, no. 8_Supplement_1 (2025): 3170. https://doi.org/10.1158/1538-7445.am2025-3170.

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Abstract Dimethyl sulfoxide (DMSO) is the most commonly used aprotic solvent for solubilizing poorly water-soluble molecules in cell culture assays. It is an inert, biocompatible solvent with high solubilization capacity. In the last decade, there has been a big parade shift in cancer drug discovery with the development of next-generation cancer therapeutics, especially oncogenic protein-specific small molecules and targeted protein degraders, also known as Proteolysis Targeting Chimera (PROTACs). Such novel drugs are efficiently degrading/inhibiting the key oncoproteins that remained “undrugg

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Melnyk, A. I. "The role of Ukrainian political and legal thought in strengthening the national self-identification of Ukrainians of Galicia in the interwar period." Uzhhorod National University Herald. Series: Law 1, no. 82 (2024): 108–14. http://dx.doi.org/10.24144/2307-3322.2024.82.1.15.

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The article summarizes the contribution of national-democratic, conservative and nationalist thinkers to the restoration of Ukrainian statehood based on the analysis of ideological and worldview doctrines of representatives of Ukrainian political and legal thought of the interwar period. The forms and methods of struggle, which are the basis of the state concepts created by them, are summarized. It was established that the defeat in the national liberation struggle of the Ukrainian people at the beginning of the 20th century led to the transformation of the worldview of many Ukrainian scientis

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KUGAI, Vitalii. "THE HOLODOMOR OF 1932-1933 IN UKRAINE (ACCORDING TO THE DOCUMENTS OF SKOROPADSKYI’S ARCHIVE IN THE CENTRAL STATE HISTORICAL ARCHIVE OF UKRAINE)." Almanac of Ukrainian Studies, no. 33 (2023): 128–37. http://dx.doi.org/10.17721/2520-2626/2023.33.17.

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The article analyzes an unknown body of documents on the history of the Holodomor in Ukraine in 1932-1933, preserved in the Skoropadskyi Fund - the archive of the family of the last hetman of Ukraine, Pavlo Skoropadskyi. For a long time, this archive was kept in the private property of P. Skoropadsky's daughter YElizaveta Skoropadska, and later in the East European Institute named after V. Lipinsky in Philadelphia (USA). In 2006, the archive was sent to the Central State Historical Archive of Ukraine (Kyiv), where it was at the stage of scientific and technical development and became available

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Modi, Siddharth J., Anshuly Tiwari, Chetana Ghule, et al. "Pharmacokinetic Study of Withanosides and Withanolides from Withania somnifera Using Ultra-High Performance Liquid Chromatography-Tandem Mass Spectrometry (UHPLC-MS/MS)." Molecules 27, no. 5 (2022): 1476. http://dx.doi.org/10.3390/molecules27051476.

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Withania somnifera is a traditional Indian herb described under the ‘Rasayana’ class in Ayurveda, which gained immense popularity as a dietary supplement in the USA, Europe, Asia, and the Indian domestic market. Despite enormous research on the pharmacological effect of withanosides and withanolides, bioanalytical method development and pharmacokinetics remained challenging and unexplored for these constituents due to isomeric and isobaric characteristics. In current research work, molecular descriptors, pharmacokinetic, and toxicity prediction (ADMET) of these constituents were performed usin

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Thapa, Shankar, Shachindra L. Nargund, and Mahalakshmi Suresha Biradar. "Molecular Design and In-Silico Analysis of Trisubstituted Benzimidazole Derivatives as Ftsz Inhibitor." Journal of Chemistry 2023 (March 1, 2023): 1–9. http://dx.doi.org/10.1155/2023/9307613.

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Tuberculosis (TB) is the fastest spreading infectious disease and one of the top ten diseases that kill millions of people annually. The rapid spread of a multidrug-resistant strain of Mycobacterium tuberculosis leads to multidrug-resistance tuberculosis (MDR-TB), which is very difficult to treat. Filament temperature-sensitive protein ring-Z (Ftsz) protein could be the best target to inhibit bacterial cytokinesis. This research is conducted to predict the antitubercular activity of trisubstituted benzimidazole derivatives targeting FtsZ protein by an in-silico approach (molecular docking, pha

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Radhakrishnan, Narayanaswamy, Vasantha-Srinivasan Prabhakaran, Mohammad Ahmad Wadaan, Almohannad Baabbad, Ramachandran Vinayagam, and Sang Gu Kang. "STITCH, Physicochemical, ADMET, and In Silico Analysis of Selected Mikania Constituents as Anti-Inflammatory Agents." Processes 11, no. 6 (2023): 1722. http://dx.doi.org/10.3390/pr11061722.

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The Mikania genus has been known to possess numerous pharmacological activities. In the present study, we aimed to evaluate the interaction of 26 selected constituents of Mikania species with (i) cyclooxygenase 2 (COX 2), (ii) human neutrophil elastase (HNE), (iii) lipoxygenase (LOX), matrix metalloproteinase ((iv) MMP 2 and (v) MMP 9), and (vi) microsomal prostaglandin E synthase 2 (mPGES 2) inhibitors using an in silico approach. The 26 selected constituents of Mikania species, namely mikamicranolide, kaurenoic acid, stigmasterol, grandifloric acid, kaurenol, spathulenol, caryophyllene oxide

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Afzal, Obaid, and Mohamed Jawed Ahsan. "An Efficient Synthesis of 1-(1,3-Dioxoisoindolin-2-yl)-3-aryl Urea Analogs as Anticancer and Antioxidant Agents: An Insight into Experimental and In Silico Studies." Molecules 29, no. 1 (2023): 67. http://dx.doi.org/10.3390/molecules29010067.

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The present investigation reports the efficient multistep synthesis of 1-(1,3-dioxoisoindolin-2-yl)-3-aryl urea analogs (7a–f) in good yields. All the 1-(1,3-dioxoisoindolin-2-yl)-3-aryl urea analogs (7a–f) were characterized by spectroscopic techniques. Five among the six compounds were tested against 56 cancer cell lines at 10 µM as per the standard protocol. 1-(4-Bromophenyl)-3-(1,3-dioxoisoindolin-2-yl)urea (7c) exhibited moderate but significant anticancer activity against EKVX, CAKI-1, UACC-62, MCF7, LOX IMVI, and ACHN with percentage growth inhibitions (PGIs) of 75.46, 78.52, 80.81, 83.

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NALÇAKAN, Harun, Gülbin KURTAY, Dilara Tuğçe ÖZDİL, and Züleyha YILMAZ. "AN IN SILICO PHARMACOKINETIC INVESTIGATION OF ORGANIC LUMINOGENS: UNDERSTANDING THE NIR AIEGENS AND THEIR INTERACTIONS WITH SERUM ALBUMINS." Ankara Universitesi Eczacilik Fakultesi Dergisi 48, no. 1 (2023): 6. http://dx.doi.org/10.33483/jfpau.1335047.

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Objective: Fluorescence imaging (FLI) is accepted as a highly effective method for visualizing bioanalytics directly and gaining insight into complicated biological structures and processes. In this context, newly tailored organic molecules, which have the potential to be used in FLI, especially near-infrared (NIR) regions supported by aggregation-induced emission luminogens (AIEgens), are a rapidly developing area of study. Herein, using ADMET and molecular docking analyses, we examined the pharmacokinetic properties of both model (D2-A2-D2) and newly designed (Dn-An-Dn) organic luminogens to

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Safithri, Mega, Eko Budi Koendhori, Dimas Andrianto, et al. "Analysis of Bioactive Compounds Piper crocatum as Inhibitors of Acetylcholinesterase In Silico and In Vitro." Trends in Sciences 22, no. 4 (2025): 9437. https://doi.org/10.48048/tis.2025.9437.

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Alzheimer’s disease, the leading cause of dementia in older adults, involves memory loss and cognitive decline, with β-amyloid plaques and neurofibrillary tangles (NFTs) as key features. Acetylcholinesterase (AChE), an enzyme that breaks down acetylcholine, plays a role in the formation of these plaques and tangles. AChE is a promising target for the development of small molecule inhibitors in Alzheimer’s disease (AD) treatment. Indonesia’s native red betel (Piper crocatum) contains bioactive compounds that inhibit AChE activity, as shown in previous research. This study aims to evaluate the A

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Ozochukwu, Ifeyinwa Stella, Obinna Chibueze Okpareke, David Chukwuma Izuogu, Akachukwu Ibezim, Oguejiofo Theophilus Ujam, and Jonnie Niyi Asegbeloyin. "N'-(Pyridin-3-ylmethylene)benzenesulfonohydrazide: Crystal structure, DFT, Hirshfeld surface and in silico anticancer studies." European Journal of Chemistry 12, no. 3 (2021): 256–64. http://dx.doi.org/10.5155/eurjchem.12.3.256-264.2102.

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A new Schiff base, N'-(pyridin-3-ylmethylene)benzenesulfonohydrazide, was synthesized and characterized by elemental analysis, IR, Mass, 1H NMR and 13C NMR spectroscopy, and single-crystal X-ray determination. The asymmetric molecule crystallized in the monoclinic crystal system and P2(1)/c space group. Crystal data for C12H11N3O2S: a = 9.7547(4) Å, b = 9.8108(4) Å, c = 13.1130(5) Å, β = 109.038(2)°, V = 1186.29(8) Å3, Z = 4, μ(MoKα) = 0.270 mm-1, Dcalc = 1.463 g/cm3, 13338 reflections measured (5.296° ≤ 2Θ ≤ 55.484°), 2790 unique (Rint = 0.0494, Rsigma = 0.0400) which were used in all calcula

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