Binding mode and free energy prediction of fisetin/β-cyclodextrin inclusion complexes

Bodee Nutho, Wasinee Khuntawee, Chompoonut Rungnim, Piamsook Pongsawasdi, Peter Wolschann, Alfred Karpfen, Nawee Kungwan and Thanyada Rungrotmongkol

Beilstein J. Org. Chem. 2014, 10, 2789–2799. https://doi.org/10.3762/bjoc.10.296

Supporting Information

Supporting Information File 1: Decomposition of the free energy (kcal/mol) into the contributions from A- and B-rings of fisetin.
Format: PDF Size: 209.5 KB Download

References

Article Citation
Download RIS (Reference Manager) Download BIB (BIBTEX)
Cited References
Download RIS (Reference Manager) Download BIB (BIBTEX)
Back To Article

Article is part of the issue

Superstructures with cyclodextrins: Chemistry and applications II

Gerhard Wenz

Latest Articles

1,4-Dithianes: attractive C2-building blocks for the synthesis of complex molecular architectures

  1. Bram Ryckaert,
  2. Ellen Demeyere,
  3. Frederick Degroote,
  4. Hilde Janssens and
  5. Johan M. Winne
  • Review
  • Published 02 Feb 2023
Graphical Abstract

Beilstein J. Org. Chem. 2023, 19, 115–132, doi:10.3762/bjoc.19.12

Synthesis and characterisation of new antimalarial fluorinated triazolopyrazine compounds

  1. Kah Yean Lum,
  2. Jonathan M. White,
  3. Daniel J. G. Johnson,
  4. Vicky M. Avery and
  5. Rohan A. Davis
  • Full Research Paper
  • Published 31 Jan 2023
Graphical Abstract

Beilstein J. Org. Chem. 2023, 19, 107–114, doi:10.3762/bjoc.19.11

Practical synthesis of isocoumarins via Rh(III)-catalyzed C–H activation/annulation cascade

  1. Qian-Ci Gao,
  2. Yi-Fei Li,
  3. Jun Xuan and
  4. Xiao-Qiang Hu
  • Letter
  • Published 30 Jan 2023
Graphical Abstract

Beilstein J. Org. Chem. 2023, 19, 100–106, doi:10.3762/bjoc.19.10

Revisiting the bromination of 3β-hydroxycholest-5-ene with CBr4/PPh3 and the subsequent azidolysis of the resulting bromide, disparity in stereochemical behavior

  1. Christian Schumacher,
  2. Jas S. Ward,
  3. Kari Rissanen,
  4. Carsten Bolm and
  5. Mohamed Ramadan El Sayed Aly
  • Full Research Paper
  • Published 27 Jan 2023
Graphical Abstract

Beilstein J. Org. Chem. 2023, 19, 91–99, doi:10.3762/bjoc.19.9

Organophosphorus chemistry: from model to application

  1. György Keglevich
  • Editorial
  • Published 25 Jan 2023
Graphical Abstract

Beilstein J. Org. Chem. 2023, 19, 89–90, doi:10.3762/bjoc.19.8

Preparation of β-cyclodextrin/polysaccharide foams using saponin

  1. Max Petitjean and
  2. José Ramón Isasi
  • Full Research Paper
  • Published 24 Jan 2023
Graphical Abstract

Beilstein J. Org. Chem. 2023, 19, 78–88, doi:10.3762/bjoc.19.7

Catalytic aza-Nazarov cyclization reactions to access α-methylene-γ-lactam heterocycles

  1. Bilge Banu Yagci,
  2. Selin Ezgi Donmez,
  3. Onur Şahin and
  4. Yunus Emre Türkmen
  • Full Research Paper
  • Published 17 Jan 2023
Graphical Abstract

Beilstein J. Org. Chem. 2023, 19, 66–77, doi:10.3762/bjoc.19.6

NaI/PPh3-catalyzed visible-light-mediated decarboxylative radical cascade cyclization of N-arylacrylamides for the efficient synthesis of quaternary oxindoles

  1. Dan Liu,
  2. Yue Zhao and
  3. Frederic W. Patureau
  • Letter
  • Published 16 Jan 2023
Graphical Abstract

Beilstein J. Org. Chem. 2023, 19, 57–65, doi:10.3762/bjoc.19.5

Improving the accuracy of 31P NMR chemical shift calculations by use of scaling methods

  1. William H. Hersh and
  2. Tsz-Yeung Chan
  • Full Research Paper
  • Published 10 Jan 2023
Graphical Abstract

Beilstein J. Org. Chem. 2023, 19, 36–56, doi:10.3762/bjoc.19.4

Modern flow chemistry – prospect and advantage

  1. Philipp Heretsch
  • Editorial
  • Published 06 Jan 2023
Graphical Abstract

Beilstein J. Org. Chem. 2023, 19, 33–35, doi:10.3762/bjoc.19.3

Latest Articles

Latest Thematic Issues

Enzymes in biosynthesis

Jeroen S. Dickschat

2022 Show Issue

Molecular and macromolecular electrochemistry: synthesis, mechanism, and redox properties

Shinsuke Inagi and Mahito Atobe

2022 Show Issue

Cyclodextrins as building blocks for new materials

Sophie Fourmentin and Miriana Kfoury

New Call Show Issue

Total synthesis: an enabling science

Bastien Nay

2022 Call Show Issue

Mechanochemistry III

José G. Hernández and Lars Borchardt

2022 Show Issue

Platform and enabling technologies in organic synthesis

Philipp Heretsch and Andreas Kirschning

New Show Issue

Organophosphorus chemistry: from model to application

György Keglevich

New Show Issue

Organic TADF materials design

Eli Zysman-Colman

2021 Show Issue

Earth-abundant 3d metal catalysis

Lutz Ackermann

2021 Show Issue
Browse all Thematic Issues

Other Beilstein-Institut Open Science Activities

Logo
Logo
Logo
Logo

Keep Informed

RSS Feed

Subscribe to our Latest Articles RSS Feed.

Subscribe

Follow the Beilstein-Institut

LinkedIn

Twitter: @BeilsteinInst