219
Views
19
CrossRef citations to date
0
Altmetric
Research Articles

Conformational diversity of the quercetin molecule: a quantum-chemical view

ORCID Icon & ORCID Icon
Pages 2817-2836 | Received 28 May 2019, Accepted 09 Jul 2019, Published online: 17 Sep 2019

Keep up to date with the latest research on this topic with citation updates for this article.

Read on this site (3)

Adili Keranmu, Li-Bin Pan, Hang Yu, Jie Fu, Yi-Fang Liu, Siyiti Amuti, Pei Han, Shu-Rong Ma, Hui Xu, Zheng-Wei Zhang, Dong Chen, Fei-Ya Yang, Ming-Shuai Wang, Yan Wang, Nian-Zeng Xing & Jian-Dong Jiang. (2022) The potential biological effects of quercetin based on pharmacokinetics and multi-targeted mechanism in vivo. Journal of Asian Natural Products Research 24:5, pages 403-431.
Read now
Shiwani Rana, Sharat Sarmah, Atanu Singha Roy & Kalyan Sundar Ghosh. (2021) Elucidation of molecular interactions between human γD-crystallin and quercetin, an inhibitor against tryptophan oxidation. Journal of Biomolecular Structure and Dynamics 39:5, pages 1811-1818.
Read now
Ol’ha O. Brovarets’ & Dmytro M. Hovorun. (2020) A new era of the prototropic tautomerism of the quercetin molecule: A QM/QTAIM computational advances. Journal of Biomolecular Structure and Dynamics 38:16, pages 4774-4800.
Read now

Articles from other publishers (16)

Emmanuel E.D. Okon, Hitler Louis, Daniel Etiese, Tomsmith O. Unimuke, Gideon E. Mathias, Ededet A. Eno, Onyinye J. Ikenyirimba, Ernest C. Agwamba & Adedapo S. Adeyinka. (2023) Investigating the intermolecular interactions in the explicitly solvated complexes of lomustine with water and ethanol. Chemical Physics Impact 7, pages 100243.
Crossref
Yueke Zhou, Cheng Qian, Yu Tang, Mengyao Song, Teng Zhang, Guanglu Dong, Weiwei Zheng, Chunmei Yang, Chongjin Zhong, Aiyun Wang, Yang Zhao & Yin Lu. (2023) Advance in the pharmacological effects of quercetin in modulating oxidative stress and inflammation related disorders. Phytotherapy Research 37:11, pages 4999-5016.
Crossref
Dmytro M. Hovorun, Ivan S. Voiteshenko & Leonid Gorb. (2023) Manifestations of intramolecular H-bonds of CH… O and OH… C type in quercetin molecule: Analysis of IR spectra by mean of density functional theory. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 287, pages 122065.
Crossref
Abdullatif Hakami, Prasanta K. Biswas, Elias K. Stefanakos & Sesha S. Srinivasan. 2023. Multifunctional Phase Change Materials. Multifunctional Phase Change Materials 229 253 .
Maciej Spiegel & Zbigniew Sroka. (2022) Natural dihydroisobenzofuran derivatives as a template for promising radical scavengers: theoretical insights into structure–activity relationships, thermochemistry and kinetics. Theoretical Chemistry Accounts 141:11.
Crossref
Bruno Zêzere, Inês Portugal, José Gomes & Carlos Silva. (2022) Modeling Tracer Diffusion Coefficients of Any Type of Solutes in Polar and Non-Polar Dense Solvents. Materials 15:18, pages 6416.
Crossref
V.F. de PaulaJr.Jr., M.I.F. Guedes, M.F. van Tilburg, I.G.P. Vieira, J.B. Silva, R.C.R. dos Santos, J.P. Echeverry, G. Costa, B.P. Silva, F.F. MaiaJr.Jr., E.W.S. Caetano & V.N. Freire. (2022) Optical absorption measurements and optoelectronic DFT calculations for ethanol solvated quercetin and anhydrous/hydrated quercetin crystals. Journal of Solid State Chemistry 312, pages 123242.
Crossref
Maciej Spiegel. (2022) Current Trends in Computational Quantum Chemistry Studies on Antioxidant Radical Scavenging Activity. Journal of Chemical Information and Modeling 62:11, pages 2639-2658.
Crossref
Ol'ha O. Brovarets'Dmytro M. Hovorun. (2021) Conformational equilibrium, IR and Raman vibrational spectra of the quercetin molecule in different solvents: A comprehensive quantum-chemical investigation. Chemical Physics Impact 3, pages 100033.
Crossref
Artem G. Veiko, Elena A. Lapshina & Ilya B. Zavodnik. (2021) Comparative analysis of molecular properties and reactions with oxidants for quercetin, catechin, and naringenin. Molecular and Cellular Biochemistry 476:12, pages 4287-4299.
Crossref
Gabriel Zazeri, Ana Paula Ribeiro Povinelli, Nathalia M. Pavan, Daniella Romano de Carvalho, Carmen Lúcia Cardoso & Valdecir Farias Ximenes. (2021) Experimental studies and computational modeling on cytochrome c reduction by quercetin: The role of oxidability and binding affinity. Journal of Molecular Structure 1244, pages 130995.
Crossref
Christian Bailly. (2021) The subgroup of 2′-hydroxy-flavonoids: Molecular diversity, mechanism of action, and anticancer properties. Bioorganic & Medicinal Chemistry 32, pages 116001.
Crossref
S Kutovyy, R Savchuk, N Bashmakova, O Stanovyi & L Palchykivska. (2021) Vibrational spectra of quercetin and their interpretation with quantum-mechanical density-functional method. Ukrainian Journal of Physical Optics 22:4, pages 181-197.
Crossref
Ol’ha O. Brovarets’ & Dmytro M. Hovorun. (2020) A Never-Ending Conformational Story of the Quercetin Molecule: Quantum-Mechanical Investigation of the O3′H and O4′H Hydroxyl Groups Rotations. Applied Sciences 10:3, pages 1147.
Crossref
Ol’ha O. Brovarets’ & Dmytro M. Hovorun. (2020) A Hidden Side of the Conformational Mobility of the Quercetin Molecule Caused by the Rotations of the O3H, O5H and O7H Hydroxyl Groups: In Silico Scrupulous Study. Symmetry 12:2, pages 230.
Crossref
A.N. Samoilov, S.S. Minenko, O.Ye. Sushynskyi, L.N. Lisetski & N.I. Lebovka. (2019) Optical and calorimetric studies of quercetin-doped liquid crystals: Effects of molecular aggregation. Journal of Molecular Liquids 295, pages 111689.
Crossref

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.