Theoretical study on β-cyclodextrin inclusion complexes with propiconazole and protonated propiconazole

Adrian Fifere, Narcisa Marangoci, Stelian Maier, Adina Coroaba, Dan Maftei and Mariana Pinteala
Beilstein J. Org. Chem. 2012, 8, 2191–2201. https://doi.org/10.3762/bjoc.8.247

Cite the Following Article

Theoretical study on β-cyclodextrin inclusion complexes with propiconazole and protonated propiconazole
Adrian Fifere, Narcisa Marangoci, Stelian Maier, Adina Coroaba, Dan Maftei and Mariana Pinteala
Beilstein J. Org. Chem. 2012, 8, 2191–2201. https://doi.org/10.3762/bjoc.8.247

How to Cite

Fifere, A.; Marangoci, N.; Maier, S.; Coroaba, A.; Maftei, D.; Pinteala, M. Beilstein J. Org. Chem. 2012, 8, 2191–2201. doi:10.3762/bjoc.8.247

Download Citation

Citation data can be downloaded as file using the "Download" button or used for copy/paste from the text window below.
Citation data in RIS format can be imported by all major citation management software, including EndNote, ProCite, RefWorks, and Zotero.

Citations to This Article

Up to 20 of the most recent references are displayed here.

Scholarly Works

  • Shikha, R.; Kar, S. S. Evaluation of molecular inclusion of azole antifungals by β-cyclodextrin using computational molecular approach. Research Square Platform LLC 2024. doi:10.21203/rs.3.rs-3916987/v1
  • Kabouche, Z.; Belhocine, Y.; Benlecheb, T.; Assaba, I. M.; Litim, A.; Lalalou, R.; Mechhoud, A. A DFT-D4 investigation of the complexation phenomenon between pentachlorophenol and β-cyclodextrin. Chimica Techno Acta 2023, 10. doi:10.15826/chimtech.2023.10.2.09
  • Kouderis, C.; Tsigoias, S.; Siafarika, P.; Kalampounias, A. G. The Effect of Alkali Iodide Salts in the Inclusion Process of Phenolphthalein in β-Cyclodextrin: A Spectroscopic and Theoretical Study. Molecules (Basel, Switzerland) 2023, 28, 1147. doi:10.3390/molecules28031147
  • Gamboa-Arancibia, M. E.; Caro, N.; Gamboa, A.; Morales, J. O.; González Casanova, J. E.; Rojas Gómez, D. M.; Miranda-Rojas, S. Improving Lurasidone Hydrochloride's Solubility and Stability by Higher-Order Complex Formation with Hydroxypropyl-β-cyclodextrin. Pharmaceutics 2023, 15, 232. doi:10.3390/pharmaceutics15010232
  • Imtiaz, S.; Singh, J.; Kumar, G.; Bhardwaj, M.; Saraswat, H. Structural Studies of Inclusion Complexes of HP-β-CD and Cetirizine by Combination of ROESY and Molecular Modelling Methods. Asian Journal of Chemistry 2022, 34, 3224–3230. doi:10.14233/ajchem.2022.24048
  • Grekhneva, E. V.; Barteneva, E. S.; Efanov, K. S. Peculiarities of Obtaining and Modeling the Structure of Nimesulide Clathrate Complexes with β- and γ-Cyclodextrins. In The 26th International Electronic Conference on Synthetic Organic Chemistry, MDPI, 2022. doi:10.3390/ecsoc-26-13707
  • Hadi, H.; Safari, R.; Shamlouei, H. R. Synthesis and experimental/theoretical evaluation of β-CD/MTX nanostructure for use in targeted drug delivery systems. Chemical Papers 2022, 77, 63–74. doi:10.1007/s11696-022-02459-8
  • Prabhu, A. A. M.; Madi, F.; Leila, N.; Kumar, G. S. S.; Sathiyaseelan, K. Structural Aspects and Stability of Interactions between Phenyl-3,3'-Bis(Indolyl)Methanes and β-Cyclodextrin from Density Functional Theory. Polycyclic Aromatic Compounds 2022, 43, 5276–5298. doi:10.1080/10406638.2022.2101490
  • Messiad, F. A.; Ammouchi, N.; Belhocine, Y.; Alhussain, H.; Ghoniem, M. G.; Said, R. B.; Ali, F. A. M.; Rahali, S. In Search of Preferential Macrocyclic Hosts for Sulfur Mustard Sensing and Recognition: A Computational Investigation through the New Composite Method r2SCAN-3c of the Key Factors Influencing the Host-Guest Interactions. Nanomaterials (Basel, Switzerland) 2022, 12, 2517. doi:10.3390/nano12152517
  • Das, K.; Patra, R. N.; Gardas, R. L. Study on inclusion complexation of β-CD and nitro-benzyl-imidazolium-based ionic liquids with various physicochemical techniques. Journal of Molecular Liquids 2022, 348, 118039. doi:10.1016/j.molliq.2021.118039
  • Khushbu; Jindal, R. Cyclodextrin mediated controlled release of edaravone from pH-responsive sodium alginate and chitosan based nanocomposites. International journal of biological macromolecules 2022, 202, 11–25. doi:10.1016/j.ijbiomac.2022.01.001
  • Chen, K.; Ye, R.; Liu, X.; Wong, C. F.; Xu, S.; Luo, J.; Gong, X.; Zhou, B. Why 2,6-di-methyl-β-cyclodextrin can encapsulate OH-substituted naphthalenes better than β-cyclodextrin: binding pose, non-covalent interaction and solvent effect. Computational and Theoretical Chemistry 2021, 1206, 113496. doi:10.1016/j.comptc.2021.113496
  • Volkova, T. V.; Simonova, O. R.; Perlovich, G. L. New Antifungal Compound: Impact of Cosolvency, Micellization and Complexation on Solubility and Permeability Processes. Pharmaceutics 2021, 13, 1865. doi:10.3390/pharmaceutics13111865
  • Chandrasekaram, K.; Alias, Y.; Fathullah, S. F.; Lee, V. S.; Haron, N.; Raoov, M.; Zakaria, N.; Mohamad, S. Sporopollenin supported ionic liquids biosorbent for enhanced selective adsorption of 2,4-dinitrophenol from aqueous environment. Materials Today Communications 2021, 28, 102587. doi:10.1016/j.mtcomm.2021.102587
  • Akhondi, M.; Jamalizadeh, E.; Mohebbi, A. MD and DFT calculations on the structural variations of amino-cyclodextrin as a pH-sensitive carrier for smart carriage and release of Doxorubicin. Journal of Molecular Structure 2021, 1230, 129855. doi:10.1016/j.molstruc.2020.129855
  • Assaba, I. M.; Rahali, S.; Belhocine, Y.; Allal, H. Inclusion complexation of chloroquine with α and β-cyclodextrin: Theoretical insights from the new B97-3c composite method. Journal of Molecular Structure 2021, 1227, 129696. doi:10.1016/j.molstruc.2020.129696
  • Muzaffar, S.; Imtiaz, S.; Ali, S. M. Demonstrating accuracy of the proposed protocol for structure elucidation of cyclodextrin inclusion complexes by validation using DFT studies. Journal of Molecular Structure 2020, 1217, 128419. doi:10.1016/j.molstruc.2020.128419
  • Volkova, T. V.; Perlovich, G. L. Comparative analysis of solubilization and complexation characteristics for new antifungal compound with cyclodextrins. Impact of cyclodextrins on distribution process. European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences 2020, 154, 105531. doi:10.1016/j.ejps.2020.105531
  • Prabu, S.; Samad, N. A.; Ahmad, N. A.; Jumbri, K.; Raoov, M.; Rahim, N. Y.; Samikannu, K.; Mohamad, S. Studies on the supramolecular complex of a guanosine with beta-cyclodextrin and evaluation of its anti-proliferative activity. Carbohydrate research 2020, 497, 108138. doi:10.1016/j.carres.2020.108138
  • Roslan, N. F.; Mustafa, S. F. Z.; Maarof, H.; Ajeman, S. N. M.; Ibrahim, W. A. W. Molecular docking and density functional theory calculations of vinpocetine and teicoplanin aglycone chiral selector. Journal of Inclusion Phenomena and Macrocyclic Chemistry 2020, 98, 187–195. doi:10.1007/s10847-020-01015-9
Other Beilstein-Institut Open Science Activities