ArticleFrontiers in chemistry2021
Revisiting Activity of Some Nocodazole Analogues as a Potential Anticancer Drugs Using Molecular Docking and DFT Calculations.
Article in Frontiers in chemistry, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 37 papers, 2 of them syntheses that pooled it.
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37 citing papers in PubMed, 2 syntheses or guidelines pooled it, 84 citations in OpenAlex.
- A Systematic Review of the Impact of Benzimidazole-based Anthelmintics on Lung Cancer in Animal Models.Current drug safety · 2025Pooled it
- A Systematic Review of the Global Intervention for SARS-CoV-2 Combating: From Drugs Repurposing to Molnupiravir Approval.Drug design, development and therapy · 2022Pooled it
- Pharmacokinetics, molecular docking, and molecular dynamics simulation unveil novel lichen-derived scaffolds targeting PBP2a MRSA.Frontiers in bioinformatics · 2026Article
- Exploring the therapeutic role of thiabendazole in lung adenocarcinoma via network pharmacology and single-cell analysis.Translational oncology · 2025Article
- Transcytosis of LDL Across Arterial Endothelium: Mechanisms and Therapeutic Targets.Arteriosclerosis, thrombosis, and vascular biology · 2025Review
- 2-Guanidinobenzimidazole as Ligand in Supramolecular, Coordination and Organometallic Chemistry.International journal of molecular sciences · 2025Review
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- Enhancing of cerebral Abeta clearance by modulation of ABC transporter expression: a review of experimental approaches.Frontiers in aging neuroscience · 2024Review
- Biological evaluation, docking studies, andJournal of enzyme inhibition and medicinal chemistry · 2023Article
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- Benzimidazole carbamate induces cytotoxicity in breast cancer cells via two distinct cell death mechanisms.Cell death discovery · 2023Article
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- Anticancer Activities of Re(I) Tricarbonyl and Its Imidazole-Based Ligands: Insight from a Theoretical Approach.ACS omega · 2023Article
- Benzimidazole and its derivatives as cancer therapeutics: The potential role from traditional to precision medicine.Acta pharmaceutica Sinica. B · 2023Review
- Ligand-based design and synthesis ofJournal of enzyme inhibition and medicinal chemistry · 2022Article
- Topo II inhibition and DNA intercalation by new phthalazine-based derivatives as potent anticancer agents: design, synthesis, anti-proliferative, docking, andJournal of enzyme inhibition and medicinal chemistry · 2022Article
- Ligand-based design, synthesis, computational insights, andJournal of enzyme inhibition and medicinal chemistry · 2022Article
- Anticoagulants as Potential SARS-CoV-2 MInternational journal of molecular sciences · 2022Article
- Synthesis, Molecular Docking Study, and Cytotoxicity Evaluation of Some Novel 1,3,4-Thiadiazole as Well as 1,3-Thiazole Derivatives Bearing a Pyridine Moiety.Molecules (Basel, Switzerland) · 2022Article
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Authors and funding
2 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Although potential anticancer activities of benzimidazole-based anthelmintic drugs have been approved by preclinical and clinical studies, modes of binding interactions have not been reported so far. Therefore, in this study, we aimed to propose binding interactions of some benzimidazole-based anthelmintics with one of the most important cancer targets (Tubulin protein). Studied drugs were selected based on their structural similarity with the cocrystallized ligand (Nocodazole) with tubulin protein. Quantum mechanics calculations were also employed for characterization of electronic configuration of studied drugs at the atomic and molecular level. Order of binding affinities of tested benzimidazole drugs toward colchicine binding site on tubulin protein is as follows: Flubendazole > Oxfendazole > Nocodazole > Mebendazole > Albendazole > Oxibendazole > Fenbendazole > Ciclobendazole > Thiabendazole > Bendazole. By analyzing binding mode and hydrogen bond length between the nine studied benzimidazole drugs and colchicine binding site, Flubendazole was found to bind more efficiently with tubulin protein than other benzimidazole derivatives. The quantum mechanics studies showed that the electron density of HOMO of Flubendazole and Mebendazole together with their MEP map are quite similar to that of Nocodazole which is also consistent with the calculated binding affinities. Our study has ramifications for considering the repurposing of Flubendazole as a promising anticancer candidate.
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