ArticleInternational journal of molecular sciences2023
1,2-Dibenzoylhydrazine as a Multi-Inhibitor Compound: A Morphological and Docking Study.
Article in International journal of molecular sciences, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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7 citing papers in PubMed.
- Review
- Xylazine as an emerging new psychoactive substance; focuses on both 5-HTArchiv der Pharmazie · 2025Article
- Antiviral efficacy of heparan sulfate and enoxaparin sodium against SARS-CoV-2.Archiv der Pharmazie · 2025Article
- Design, Synthesis, and Evaluation of Novel (-)-cis-N-Normetazocine Derivatives: In Vitro and Molecular Modeling Insights.Chemical biology & drug design · 2024Article
- Investigating the effect ofIn silico pharmacology · 2024Article
- Progress of the "Molecular Informatics" Section in 2022.International journal of molecular sciences · 2023Article
- Steered Molecular Dynamics Simulations Study on FABP4 Inhibitors.Molecules (Basel, Switzerland) · 2023Article
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Authors and funding
6 authors.
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Abstract
In the framework of the multitarget inhibitor study, we report an in silico analysis of 1,2-dibenzoylhydrazine (DBH) with respect to three essential receptors such as the ecdysone receptor (EcR), urease, and HIV-integrase. Starting from a crystallographic structural study of accidentally harvested crystals of this compound, we performed docking studies to evaluate the inhibitory capacity of DBH toward three selected targets. A crystal morphology prediction was then performed. The results of our molecular modeling calculations indicate that DBH is an excellent candidate as a ligand to inhibit the activity of EcR receptors and urease. Docking studies also revealed the activity of DBH on the HIV integrase receptor, providing an excellent starting point for developing novel inhibitors using this molecule as a starting lead compound.
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