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13 articles for “pyrazole”
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Molecular Docking, QSAR Modeling, and ADMET Evaluation of Novel Pyrazolo-Pyrimidine Derivatives as Potential CDK-2 Inhibitors for Cancer Therapy
Abstract: Cyclin-dependent kinase-2 (CDK-2) is an essential regulator in cell cycle progression and is an important therapeutic target in cancer drug development. In the present study, an integrated computational approach involving molecular docking studies, QSAR modeling, ADMET prediction, and artificial intelligence-based analysis was used to identify pyrazolo-pyrimidine derivatives as potential CDK-2 inhibitors. Based on the molecular docking results, it was found that selected compounds exhibited high binding affinity towards the ATP …
Published in Research and Reviews: A Journal of Pharmacology · Vol. 16, Issue 2, 2026 Read article
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Synthesis and Characterization of Pyrazole Heterocyclic Derivatives via Vilsmeier-Haack-Reaction and its Schiff`s Bases.
Abstract: The synthesis of New Schiff bases (2; and 3a-c) is reported in this study. These bases were created by reacting -chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde (1) with various amines that contained various pharmacophore atoms or groups, such as derivatives of benzothiazole and aniline, in the hopes of having antimicrobial and antifungal properties. Using mild reaction conditions and a good yield percentage, mono-pyrazole Schiff bases (2 and 3a–c) were designed and synthesized by reacting 5-chloro--3-methyl-1-phenyl-pyrazole-4-carbaldehyde …
Published in Journal of Modern Chemistry & Chemical Technology · Vol. 15, Issue 3, 2024 · pp. 34–48 Read article
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5-Methyl-2-phenyl-2,4-dihydro-3H-pyrazol-4-one: Synthesis and Reactions
Abstract: The presence of the five-member pyrazole nucleus in different structures leads to a large diversity in its applications. In almost every research study, the pyrazole derivatives biological importance faces a competitive challenge in areas of technology, medicine and agriculture. This reflects the description of these derivatives as antibacterial, antifungal, anticancer, antidepressant, anti-inflammatory, anti-tuberculosis, antioxidant as well as antiviral agents. In our review, we will discuss and show the highlights of …
Published in Journal of Modern Chemistry & Chemical Technology · Vol. 16, Issue 3, 2025 · pp. 76–87 Read article
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Synthesis of new heterocyclic compounds containing nitrogen, sulphur and study their biological activity
Abstract: Several substituted pyridines with brominated coumarin and with other substituents were achieved by condensing brominated coumarin IV with 4-methoxybenzaldehyde in basic solution forming α,β-unsaturated ketone II. Hantzsch reaction of this ketone with β-ketoester to provide precursor substituted pyridines. The Hantzsch reaction product was subjected to different reactions. The other targeted heterocyclic compound was obtained by reaction of α,β-unsaturated ketone II with hydrazine carbothioamide to give substituted pyrazole with brominated coumarin, …
Published in Emerging Trends in Chemical Engineering · Vol. 8, Issue 3, 2021 · pp. 8–16 Read article
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Review on Effect of Catalysts in Preparation Methods of Chalcone
Abstract: This review covers effect of some catalysts in preparation methods of chalcone compounds. These compounds are responsible for the coloration of flowers due to the presence of the cascade. The molecules of the compound become highly photo-acetic and thus are ideal chromophores. Recently, a number of studies have been conducted describing the process of separating chalcones from different parts of plants such as roots (roots), buds, leaves (leaves), flowers, seeds …
Published in Journal of Catalyst & Catalysis · Vol. 7, Issue 3, 2020 · pp. 11–21 Read article
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Design, Synthesis, and Spectroscopic Elucidation of 3-Methyl-1-Phenylpyrazol-5-One: A Cheminformatics-Aided Approach to Heterocyclic Drug Scaffolds
Abstract: Pyrazolone, a notable heterocyclic compound, has drawn increasing interest due to its broad pharmacological profile and structural versatility. The synthesis, characterisation, and biological assessment of new pyrazolone derivatives are examined in this work. A comprehensive review of existing synthetic strategies is presented, emphasizing green and efficient methodologies. Novel derivatives were synthesized using varied starting materials and catalytic systems, followed by structural confirmation through spectroscopic analyses, including NMR, IR, and mass …
Published in International Journal of Cheminformatics · Vol. 3, Issue 1, 2025 · pp. 29–40 Read article
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Characterization of Synthesized Heterocyclic Oxadiazole Derivatives Using Mass, UV, IR, and NMR Spectroscopy, Among other Spectroscopic Techniques: Review
Abstract: The current study synthesized and assessed 3-heteroarylazo 4-hydroxy coumarin derivatives' initial antibacterial activities in vitro against four distinct pathogenic bacterial strains, including Pseudomonas aeruginosa, Bacillus subtilis, Escherichia coli, and Staphylococcus aureus. Ampicillin, a common medication, was used to compare each compound's antibacterial properties. UV, IR, 1H NMR, mass spectroscopy, and X-ray diffraction examinations were used to analyze the compounds. By using UV–vis spectra, the solute-chromic behavior of these compounds was …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 1, Issue 1, 2023 · pp. 28–33 Read article
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Pharmacophore mapping, 3D QSAR, docking, and ADME prediction studies of novel Benzothiazinone derivatives
Abstract: Background Tuberculosis is a major public health concern worldwide which is caused by Mycobacterium tuberculosis. DprE1 (Decaprenyl Phosphoryl Ribose 2’- Epimerase) is the most challenging target for development of novel anti- tubercular agents because it is a small protein and located into cytoplasmic membrane. So, novel anti-TB drugs did not bound effectively with it. DprE1 catalyzes the oxidation of the 2’ hydroxyl group of DPR (Decaprenyl Phosphoryl D- Ribose) …
Published in International Journal of Antibiotics · Vol. 1, Issue 1, 2024 · pp. 59–82 Read article
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Photochemical Insights into Light: Responsive Heterocyclic Compounds
Abstract: eterocyclic compounds are significant in a wide range of chemical fields. They are crucial components of the structural makeup of bioactive substances. Such compounds can be conveniently transformed through photochemical processes. Chemical reagents are rarely utilized. It is possible for members of one compound family to change into members of another. There is discussion of three key categories of photochemical rearrangements involving heterocyclic compounds: Photochemical reactions involving hydrogen atom transfer …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 1, Issue 2, 2023 · pp. 01–07 Read article
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Heterocyclic Substituted Flavones: Bridging Natural Products and Medicinal Chemistry
Abstract: Heterocyclic substituted flavones represent a unique and promising class of flavonoid derivatives, gaining significant attention in recent years due to their diverse and enhanced biological activities. These compounds are characterized by the incorporation of heterocyclic moieties such as quinoline, pyridine, thiazole, imidazole, oxazole, and pyrazole into the flavone structure, which significantly alters and often enhances their bioactive properties. This structural modification has made heterocyclic flavones particularly appealing as candidates for …
Published in International Journal of Tropical Medicines · Vol. 2, Issue 1, 2025 · pp. 23–30 Read article
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CB₁ Reverse Agonists: A Cheminformatic and Patent Landscape Study
Abstract: The endocannabinoid system plays a crucial role in numerous physiological functions, making cannabinoid receptor 1 (CB1) an attractive target for therapeutic development. This review provides a systematic analysis of patent filings from 2019 to 2023 that focus on small-molecule CB1 reverse agonists. It begins with an overview of the endocannabinoid system, highlighting CB1’s involvement in energy balance, pain regulation, and neuroinflammatory processes The main section of the review examines fifteen …
Published in International Journal of Cheminformatics · Vol. 3, Issue 2, 2025 · pp. 33–36 Read article
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Phytochemical Quantification of Characteristics of Plant Extracts in Acidic Medium on Metal Inhibition
Abstract: Carbon steel coupon or specimen was analysed using X-ray Fluorescence Spectroscopy in determining the coupon’s composition and weighed before its total immersion into the acidic environment and acidic environment with different inhibitors (extract) respectively of different of concentration for a monitoring period of five day (120 hours). Corrosion inhibitive effect of moringa oleifera leaf (MOL), carrica papaya leaf (CPL) and coconut coir dust (CCD) extract respectively in mitigating the corrosion …
Published in Journal of Petroleum Engineering & Technology · Vol. 13, Issue 1, 2023 · pp. 32–43 Read article
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Novel Method to Synthesize Thiazole-based Disperse Dyes and its Applications
Abstract: The present work aims to deal with novel method to synthesize thiazole based disperse dyes and its applications.Design/methodology/approach: Azo dyes is tailored for utilization as the most basic and a key ingredient in dyestuff sector with potential applications in textiles, paper, plastics, printing ink, etc. The synthesis of disperse and acid dyes derived from thiazole and pyrazolone as a coupling component. Thiazole based dyes shows antimicrobial activities. The dyeing performance …
Published in Journal of Thin Films, Coating Science Technology & Application · Vol. 6, Issue 3, 2019 · pp. 30–34 Read article