ArticleScientific reports2024
Synthesis and in silico studies of certain benzo[f]quinoline-based heterocycles as antitumor agents.
Article in Scientific reports, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed.
- Hydrazone-heterocyclic hybrids as promising anticancer agents: a comprehensive review.RSC advances · 2026Review
- Design, synthesis, biological assessment, and integrated computational analysis of new pyrazole-based antimicrobial candidates.Scientific reports · 2026Article
- Synthesis andRSC advances · 2026Article
- Exploring insecticidal activity and SAR study of newly synthesized Benzo[h]quinoline-based heterocycles against Aphis craccivora Koch. and Culex pipiens L. Larvae.Scientific reports · 2026Article
- Integrated synthesis, antiproliferative potential, andRSC advances · 2026Article
- Traditional and Sustainable Methods for the Synthesis of Quinoline Derivatives as Anticancer Agents (2019-Present): A Comprehensive Review.Anti-cancer agents in medicinal chemistry · 2026Review
- Recent Developments in Heterocyclic Derivatives as Novel Cancer Therapeutics: From 2020-2024.Mini reviews in medicinal chemistry · 2026Review
- Design, evaluation, cytotoxic activity, molecular docking, ADMET analysis, and dynamic simulations and the preparation of new isoxazoles, thiazoles, 1,3-thiazines, and thiazolopyrimidines derived from quinoline-pyridopyrimidines.Pharmaceutical biology · 2025Article
- Synthesis and insecticidal activity of some pyrazole, pyridine, and pyrimidine candidates against Culex pipiens L. larvae.Scientific reports · 2025Article
- Synthesis, antiproliferative screening, and molecular docking of some heterocycles derived from N-(1-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-hydrazineyl-3-oxoprop-1-en-2-yl)benzamide.Scientific reports · 2025Article
- Vistas in the domain of 3-acetyl-4-hydroxy-2-quinolinone derivatives (AHQ) and their applications.RSC advances · 2025Review
- Antiviral activity of newly synthesized pyrazole derivatives against Newcastle disease virus.Scientific reports · 2025Article
- Antioxidant activity, molecular docking, and modeling pharmacokinetics study of some benzo[f]quinoline candidates.Scientific reports · 2025Article
- Antiviral activity of pyrazole derivatives bearing a hydroxyquinoline scaffold against SARS-CoV-2, HCoV-229E, MERS-CoV, and IBV propagation.RSC advances · 2024Article
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
A series of benzoquinoline-employing heterocycles was synthesized by treating 3-chlorobenzo[f]quinoline-2-carbaldehyde with N-phenyl-3-methylpyrazolone, 4-aminoacetophenone, 1,2-diaminoethane, and 2-cyanoethanohydrazide. Also, pyridine, chromene, α,β-unsaturated nitrile, thiosemicarbazone, and 1,2-bis-aryl hydrazine derivatives were prepared from the cyanoethanohydrazone obtained. The DFT calculations and experiment outcomes were consistent. In vitro screening of their antiproliferative efficacy was examined against HCT116 and MCF7 cancer cell lines. The pyrazolone 2 and cyanoethanohydrazone 5 derivatives exhibited the most potency, which was demonstrated by their molecular docking towards the CDK-5 enzyme. The binding energies of compounds 2 and 5 were - 6.6320 kcal/mol (with RMSD of 0.9477 Å) and - 6.5696 kcal/mol (with RMSD of 1.4889 Å), respectively, which were near to that of co-crystallized ligand (EFP). This implies a notably strong binding affinity towards the CDK-5 enzyme. Thus, pyrazolone derivative 2 would be considered a promising candidate for further optimization to develop new chemotherapeutic agents. In addition, the ADME (absorption, distribution, metabolism, and excretion) analyses displayed its desirable drug-likeness and oral bioavailability properties.
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