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Aug 2026

Synthesis of New Coumarin-3-carboxamides and Theoretical Study of the Synthesized Compounds

Coumarin derivatives exhibit significant biological and pharmacological activities, motivating the design of new coumarin-based compounds. This study aimed to synthesize novel coumarin-3-carboxamides using a simple and efficient multicomponent reaction, and to investigate their structural and electronic properties...

Behnam Gharehbaghi, N. Shajari, H. Yahyaei · 0 citations
Open access Sep 2026

Synthesis, Characterization, Molecular Docking and Study biological Activity of some New Heterocyclic Derivatives from a Sulfa Drug

The results indicate that structural modification of sulfadiazine through heterocyclic ring formation significantly enhances antibacterial activity and binding affinity, suggesting their potential as promising antimicrobial agents.

Rusul Zamil Abdulhassan, N. Majeed · 0 citations
Aug 2026

Synthesis and in silico evaluation of novel hybrid 1,4-benzothiazine-1,1-dioxide-bis(1,2,3-triazole) derivatives as potential SRC kinase inhibitors via 1,3-dipolar cycloaddition.

Herein, we report the synthesis of new 1,4-benzothiazine-1,1-dioxide derivatives bearing bis(1,2,3-triazole) moieties via click chemistry in good to high yields and fully characterized by 1H NMR, 13C NMR and HRMS. The compounds were evaluated using a combined in silico approach, including physicochemical, pharmacokinet...

Ezaddine Irrou, Chagaleti Bharath Kumar, Y. Riadi et al. · 0 citations
Sep 2026

Bis-Triazole-Containing Heterocycles: Synthesis, Pharmacokinetic Prediction, Molecular Modeling, and Antimicrobial Activity Evaluation

The synthesis and evaluation of novel bis-triazole derivatives, designed to evaluate their antimicrobial activity against clinically relevant pathogens and to establish structure-activity relationships for future optimization, provide a basis for further optimization of triazole-based antimicrobial agents.

Ahmed M. Abobakr, Rasha A. Nabil, H. H. Temirek et al. · 0 citations
Open access Sep 2026

Design of some β-lactam derivatives as prospective antibacterial agents: Synthesis, characterization, computational analysis, and molecular docking studies

A series of substituted β-lactam derivatives (3a–e) were synthesized via Schiff base intermediates using a Staudinger [2+2] cycloaddition reaction and characterized by FT-IR and 1H NMR spectroscopy. DFT calculations (B3LYP/6-31G(d)) were performed to investigate molecular geometry, electronic properties, and reactivity...

Umme Aiman Liza, Sumaiya Khan, M. Aman et al. · 0 citations
Open access Aug 2026

Synthesis of New 1,4-dihydropyrimidine Derivatives, Breast Cancer Anticancer, and In-silico Studies

A sustainable and environmentally friendly approach for the synthesis of novel pyrimidine Schiff base derivatives through a multicomponent grinding reaction conducted at room temperature under solvent-free conditions is reported, suggesting that compound (3) may serve as a promising lead candidate for breast cancer the...

Alaa M. Abu Alnjaa · 0 citations

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