Computational model predicts protein binding sites of a luminescent ligand equipped with guanidiniocarbonyl-pyrrole groups

Neda Rafieiolhosseini, Matthias Killa, Thorben Neumann, Niklas Tötsch, Jean-Noël Grad, Alexander Höing, Thies Dirksmeyer, Jochen Niemeyer, Christian Ottmann, Shirley K. Knauer, Michael Giese, Jens Voskuhl and Daniel Hoffmann

Beilstein J. Org. Chem. 2022, 18, 1322–1331. https://doi.org/10.3762/bjoc.18.137

Supporting Information

Supporting Information File 1: General information and instrumentation, cluster analysis, electrostatic potential surface of 14-3-3ζ, total energy of a simulation.
Format: PDF Size: 3.3 MB Download
Supporting Information File 2: PDB2PQR output for lysine.
Format: XLSX Size: 9.9 KB Download
Supporting Information File 3: PDB2PQR output for GCP.
Format: XLSX Size: 10.2 KB Download

Presentation Graphic

Picture with graphical abstract, title and authors for social media postings and presentations.

Format: PNG Size: 11.1 MB Download
Back To Article

Latest Articles

  • Full Research Paper
  • Published 25 Nov 2022
Graphical Abstract

Beilstein J. Org. Chem. 2022, 18, 1596–1606, doi:10.3762/bjoc.18.170

Formal total synthesis of macarpine via a Au(I)-catalyzed 6-endo-dig cycloisomerization strategy

  1. Jiayue Fu,
  2. Bingbing Li,
  3. Zefang Zhou,
  4. Maosheng Cheng,
  5. Lu Yang and
  6. Yongxiang Liu
  • Letter
  • Published 23 Nov 2022
Graphical Abstract

Beilstein J. Org. Chem. 2022, 18, 1589–1595, doi:10.3762/bjoc.18.169

  • Review
  • Published 22 Nov 2022
Graphical Abstract

Beilstein J. Org. Chem. 2022, 18, 1575–1588, doi:10.3762/bjoc.18.168

Simple synthesis of multi-halogenated alkenes from 2-bromo-2-chloro-1,1,1-trifluoroethane (halothane)

  1. Yukiko Karuo,
  2. Atsushi Tarui,
  3. Kazuyuki Sato,
  4. Kentaro Kawai and
  5. Masaaki Omote
  • Full Research Paper
  • Published 21 Nov 2022
Graphical Abstract

Beilstein J. Org. Chem. 2022, 18, 1567–1574, doi:10.3762/bjoc.18.167

Solid-phase total synthesis and structural confirmation of antimicrobial longicatenamide A

  1. Takumi Matsumoto,
  2. Takefumi Kuranaga,
  3. Yuto Taniguchi,
  4. Weicheng Wang and
  5. Hideaki Kakeya
  • Full Research Paper
  • Published 18 Nov 2022
Graphical Abstract

Beilstein J. Org. Chem. 2022, 18, 1560–1566, doi:10.3762/bjoc.18.166

  • Full Research Paper
  • Published 17 Nov 2022
Graphical Abstract

Beilstein J. Org. Chem. 2022, 18, 1553–1559, doi:10.3762/bjoc.18.165

Using UHPLC–MS profiling for the discovery of new sponge-derived metabolites and anthelmintic screening of the NatureBank bromotyrosine library

  1. Sasha Hayes,
  2. Aya C. Taki,
  3. Kah Yean Lum,
  4. Joseph J. Byrne,
  5. Merrick G. Ekins,
  6. Robin B. Gasser and
  7. Rohan A. Davis
  • Full Research Paper
  • Published 15 Nov 2022
Graphical Abstract

Beilstein J. Org. Chem. 2022, 18, 1544–1552, doi:10.3762/bjoc.18.164

  • Full Research Paper
  • Published 11 Nov 2022
Graphical Abstract

Beilstein J. Org. Chem. 2022, 18, 1539–1543, doi:10.3762/bjoc.18.163

A facile approach to spiro[dihydrofuran-2,3'-oxindoles] via formal [4 + 1] annulation reaction of fused 1H-pyrrole-2,3-diones with diazooxindoles

  1. Pavel A. Topanov,
  2. Anna A. Maslivets,
  3. Maksim V. Dmitriev,
  4. Irina V. Mashevskaya,
  5. Yurii V. Shklyaev and
  6. Andrey N. Maslivets
  • Full Research Paper
  • Published 10 Nov 2022
Graphical Abstract

Beilstein J. Org. Chem. 2022, 18, 1532–1538, doi:10.3762/bjoc.18.162

New triazole-substituted triterpene derivatives exhibiting anti-RSV activity: synthesis, biological evaluation, and molecular modeling

  1. Elenilson F. da Silva,
  2. Krist Helen Antunes Fernandes,
  3. Denise Diedrich,
  4. Jessica Gotardi,
  5. Marcia Silvana Freire Franco,
  6. Carlos Henrique Tomich de Paula da Silva,
  7. Ana Paula Duarte de Souza and
  8. Simone Cristina Baggio Gnoatto
  • Full Research Paper
  • Published 09 Nov 2022
Graphical Abstract

Beilstein J. Org. Chem. 2022, 18, 1524–1531, doi:10.3762/bjoc.18.161

Latest Thematic Issues

Other Beilstein-Institut Open Science Activities

Keep Informed

RSS Feed

Subscribe to our Latest Articles RSS Feed.

Subscribe

Follow the Beilstein-Institut

LinkedIn

Twitter: @BeilsteinInst