ArticleMarine drugs2019
Fourfold Filtered Statistical/Computational Approach for the Identification of Imidazole Compounds as HO-1 Inhibitors from Natural Products.
Article in Marine drugs, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.
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Who cites it
16 citing papers in PubMed, 29 citations in OpenAlex.
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- 1,2-Dibenzoylhydrazine as a Multi-Inhibitor Compound: A Morphological and Docking Study.International journal of molecular sciences · 2023Article
- Targeting the SARS-CoV-2 HR1 with Small Molecules as Inhibitors of the Fusion Process.International journal of molecular sciences · 2022Article
- Novel Tyrosine Kinase Inhibitors to Target Chronic Myeloid Leukemia.Molecules (Basel, Switzerland) · 2022Article
- From Far West to East: Joining the Molecular Architecture of Imidazole-like Ligands in HO-1 Complexes.Pharmaceuticals (Basel, Switzerland) · 2021Article
- Pseudo-Dipeptide Bearing α,α-Difluoromethyl Ketone Moiety as Electrophilic Warhead with Activity against Coronaviruses.International journal of molecular sciences · 2021Article
- Immune Modulation by Inhibitors of the HO System.International journal of molecular sciences · 2020Review
- An Integrated Pharmacophore/Docking/3D-QSAR Approach to Screening a Large Library of Products in Search of Future Botulinum Neurotoxin A Inhibitors.International journal of molecular sciences · 2020Article
- Putative Inhibitors of SARS-CoV-2 Main Protease from A Library of Marine Natural Products: A Virtual Screening and Molecular Modeling Study.Marine drugs · 2020Article
- Computational Tools in the Discovery of FABP4 Ligands: A Statistical and Molecular Modeling Approach.Marine drugs · 2019Article
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8 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Over-regulation of Heme oxygenase 1 (HO-1) has been recently identified in many types of human cancer, and in these cases, poor clinical outcomes are normally reported. Indeed, the inhibition of HO-1 is being considered as an anticancer approach. Imidazole scaffold is normally present in most of the classical HO-1 inhibitors and seems indispensable to the inhibitory activity due to its strong interaction with the Fe(II) of the heme group. In this paper, we searched for new potentially HO-1 inhibitors among three different databases: Marine Natural Products (MNP), ZINC Natural Products (ZNP) and Super Natural II (SN2). 484,527 compounds were retrieved from the databases and filtered through four statistical/computational filters (2D descriptors, 2D-QSAR pharmacophoric model, 3D-QSAR pharmacophoric model, and docking). Different imidazole-based compounds were suggested by our methodology to be potentially active in inhibiting the HO-1, and the results have been rationalized by the bioactivity of the filtered molecules reported in the literature.
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