ArticleJournal of molecular modeling2012
Pharmacophore, QSAR, and ADME based semisynthesis and in vitro evaluation of ursolic acid analogs for anticancer activity.
Article in Journal of molecular modeling, 2012. 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.
- Selected Pentacyclic Triterpenoids and Their Derivatives as Biologically Active Compounds.Molecules (Basel, Switzerland) · 2025Review
- Linking Variability in Phytochemical Composition with Safety Profile ofInternational journal of molecular sciences · 2024Article
- Role of ursolic acid in preventing gastrointestinal cancer: recent trends and future perspectives.Frontiers in pharmacology · 2024Review
- Synthesis and Structural Activity Relationship Study of Ursolic Acid Derivatives as Antitubercular Agent.Medicinal chemistry (Shariqah (United Arab Emirates)) · 2024Article
- Evidence of the Beneficial Effects of Ursolic Acid against Lung Cancer.Molecules (Basel, Switzerland) · 2022Review
- Therapeutic Potential of Ursolic Acid in Cancer and Diabetic Neuropathy Diseases.International journal of molecular sciences · 2021Review
- Ursolic and Oleanolic Acids: Plant Metabolites with Neuroprotective Potential.International journal of molecular sciences · 2021Review
- Nanoformulations of Ursolic Acid: A Modern Natural Anticancer Molecule.Frontiers in pharmacology · 2021Review
- Hyaluronidase Inhibitory Activity of Pentacylic Triterpenoids from Prismatomeris tetrandra (Roxb.) K. Schum: Isolation, Synthesis and QSAR Study.International journal of molecular sciences · 2016Article
- New α-Methylene-γ-Butyrolactone Derivatives as Potential Fungicidal Agents: Design, Synthesis and Antifungal Activities.Molecules (Basel, Switzerland) · 2016Article
- Effect of Pluchea lanceolata bioactives in LPS-induced neuroinflammation in C6 rat glial cells.Naunyn-Schmiedeberg's archives of pharmacology · 2014Article
- Article
- 3-methylcholanthrene induces neurotoxicity in developing neurons derived from human CD34+Thy1+ stem cells by activation of aryl hydrocarbon receptor.Neuromolecular medicine · 2013Article
- Pkb/Akt1 mediates Wnt/GSK3β/β-catenin signaling-induced apoptosis in human cord blood stem cells exposed to organophosphate pesticide monocrotophos.Stem cells and development · 2013Article
Corrections and comments
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Authors and funding
5 authors.
Funding
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Abstract
In the present work, QSAR models for predicting the activities of ursolic acid analogs against human lung (A-549) and CNS (SF-295) cancer cell lines were developed by a forward stepwise multiple linear regression method using a leave-one-out approach. The regression coefficient (r(2)) and the cross-validation regression coefficient (rCV(2)) of the QSAR model for cytotoxic activity against the human lung cancer cell line (A-549) were 0.85 and 0.80, respectively. The QSAR study indicated that the LUMO energy, ring count, and solvent-accessible surface area were strongly correlated with anticancer activity. Similarly, the QSAR model for cytotoxic activity against the human CNS cancer cell line (SF-295) also showed a high correlation (r(2) = 0.99 and rCV(2) = 0.96), and indicated that dipole vector and solvent-accessible surface area were strongly correlated with activity. Ursolic acid analogs that were predicted to be active against these cancer cell lines by the QSAR models were semisynthesized and characterized on the basis of their (1)H and (13)C NMR spectroscopic data, and were then tested in vitro against the human lung (A-549) and CNS (SF-295) cancer cell lines. The experimental results obtained agreed well with the predicted values.
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