ArticleChemistry Central journal2018
Synthesis, antimicrobial activity, pharmacophore modeling and molecular docking studies of new pyrazole-dimedone hybrid architectures.
Article in Chemistry Central journal, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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Who cites it
10 citing papers in PubMed.
- Exploring Recent Advances in the Pharmacological Activities of Pyrazole Compounds: A Comprehensive Review.Medicinal chemistry (Shariqah (United Arab Emirates)) · 2026Review
- Multicomponent synthesis of pyrano-pyrazolo-pyridones by a bimetallic cobalt-cadmium magnetic catalyst.Scientific reports · 2025Article
- Design, Synthesis, Molecular Docking, and ADME-Tox Investigations of Imidazo[1,2-a]Pyrimidines Derivatives as Antimicrobial Agents.Molecules (Basel, Switzerland) · 2024Article
- Green Chemistry andRecent advances in anti-infective drug discovery · 2024Article
- Synthesis of Tetracyclic Spirooxindolepyrrolidine-Engrafted Hydantoin Scaffolds: Crystallographic Analysis, Molecular Docking Studies and Evaluation of Their Antimicrobial, Anti-Inflammatory and Analgesic Activities.Molecules (Basel, Switzerland) · 2023Article
- Thermal Rearrangement of 5-(2-Hydroxy-6-oxocyclohexyl)-5Molecules (Basel, Switzerland) · 2023Article
- Article
- Recent Applications of the Multicomponent Synthesis for Bioactive Pyrazole Derivatives.Molecules (Basel, Switzerland) · 2022Review
- New N-Alkylated Heterocyclic Compounds as Prospective NDM1 Inhibitors: Investigation of In Vitro and In Silico Properties.Pharmaceuticals (Basel, Switzerland) · 2022Article
- Article
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Authors and funding
8 authors.
Funding
Abstract
backgroundDesign and synthesis of pyrazole-dimedone derivatives were described by one-pot multicomponent reaction as new antimicrobial agents. These new molecular framework were synthesized in high yields with a broad substrate scope under benign conditions mediated by diethylamine (NHEt
resultsThe synthesized compounds were evaluated for their antibacterial and antifungal activities against S. aureus ATCC 29213, E. faecalis ATCC29212, B. subtilis ATCC 10400, and C. albicans ATCC 2091 using agar Cup plate method. Compound 4b exhibited the best activity against B. subtilis and E. faecalis with MIC = 16 µg/L. Compounds 4e and 4l exhibited the best activity against S. aureus with MIC = 16 µg/L. Compound 4k exhibited the best activity against B. subtilis with MIC = 8 µg/L. Compounds 4o was the most active compounds against C. albicans with MIC = 4 µg/L.
conclusionIn-silico predictions were utilized to investigate the structure activity relationship of all the newly synthesized antimicrobial compounds. In this regard, a ligand-based pharmacophore model was developed highlighting the key features required for general antimicrobial activity. While the molecular docking was carried out to predict the most probable inhibition and binding mechanisms of these antibacterial and antifungal agents using the MOE docking suite against few reported target proteins.
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