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Synthesis, crystal structures and antiproliferative activities of a new indole-containing dipyridylmethanone hydrazone Schiff base and its cadmium(II) complex.
Acta Crystallogr C Struct Chem
November 2024
School of Chemistry and Chemical Engineering, Qilu University of Technology, Shandong Academy of Sciences, Jinan, Shandong 250353, People's Republic of China.
Article Synopsis
- A new indole-containing pyridine-based Schiff base, (E)-2-({[bis(pyridin-2-yl)methylidene]hydrazin-1-ylidene}methyl)-1H-indole (2-DPHI), and its cadmium(II) complex (pCd2) were developed as potential anticancer agents.
- The Schiff base was created by combining dipyridylmethanone hydrazone and indole-2-formaldehyde, while the cadmium complex was synthesized using CdCl and 2-DPHI in methanol.
- Both compounds showed significant cytotoxic effects on cancer cells, particularly 2-DPHI against A375 and A549
Synthesis, XRD structural analysis and theoretical studies of a potential inhibitor against rheumatoid arthritis (RA).
Acta Crystallogr C Struct Chem
November 2024
Instituto de Física de São Carlos, Universidade de São Paulo, USP, Avenida Trabalhador São-Carlense, No. 400 Parque Arnold Schmidt - CEP 13566-590, São Carlos, SP, Brazil.
Article Synopsis
- The study examines N-(5-nitrothiazol-2-yl)furan-2-carboxamide (NTFC) as a potential inhibitor for rheumatoid arthritis, focusing on its synthesis and crystallization techniques.
- NTFC has a unique structure featuring thiazole and furan rings connected by a planar C-N-C(=O)-C segment; crystal analysis revealed significant hydrogen bonding and effective molecular interactions.
- Molecular docking studies indicated that NTFC may effectively inhibit the DHODH enzyme, showing promising coupling energies similar to leflunomide, a known rheumatoid arthritis treatment.
Novel Aminocoumarin-Based Schiff Bases: High Antifungal Activity in Agriculture.
Chem Biodivers
December 2024
College of Chemistry and Chemical Engineering, Xinjiang Agricultural University, Urumqi, 830052, China.
Structural modification is an effective way to improve the antifungal activity of natural products and has been widely used in the development of novel fungicides. In this work, a series of aminocoumarin-based Schiff bases were synthesized and characterized by H-NMR, C NMR and HR-MS spectra. The in vitro inhibition activity of all compounds was tested against four phytopathogenic fungi (Alternaria solani, Fusarium oxysporum, Botrytis cinerea, and Alternaria alternata) using the mycelial growth rate method.
View Article and Find Full Text PDFSynthesis and In Silico Analysis of New Polyheterocyclic Molecules Derived from [1,4]-Benzoxazin-3-one and Their Inhibitory Effect against Pancreatic α-Amylase and Intestinal α-Glucosidase.
Molecules
June 2024
Laboratory of Molecular Chemistry, Materials and Catalysis (LCMMC), Faculty of Sciences and Technology, Sultan Moulay Slimane University, P.O. Box 523, Beni-Mellal 23000, Morocco.
This study focuses on synthesizing a new series of isoxazolinyl-1,2,3-triazolyl-[1,4]-benzoxazin-3-one derivatives -. The synthesis method involves a double 1,3-dipolar cycloaddition reaction following a "click chemistry" approach, starting from the respective [1,4]-benzoxazin-3-ones. Additionally, the study aims to evaluate the antidiabetic potential of these newly synthesized compounds through in silico methods.
View Article and Find Full Text PDFSynthesis, antifungal evaluation, two-dimensional quantitative structure-activity relationship and molecular docking studies of isoxazole derivatives as potential fungicides.
Pest Manag Sci
May 2024
Division of Agricultural Chemicals, ICAR-Indian Agricultural Research Institute, New Delhi, India.
Article Synopsis
- - Sheath blight and bakanae disease are significant rice diseases that reduce crop yield and are becoming resistant to old fungicides, illustrating the need for new, low-toxicity fungicides.
- - Researchers synthesized 20 new isoxazole derivatives which showed promising fungicidal activity against the fungi Rhizoctonia solani and Fusarium fujikuroi, with two compounds demonstrating the highest effectiveness at low doses.
- - Structural activity relationship (QSAR) analysis and molecular docking studies confirm these new compounds may replace existing fungicides by targeting key enzymes, making them critical candidates for future agricultural applications.
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