Understanding the interactions between artemisinin and cyclodextrins: spectroscopic studies and molecular modeling

2012 ◽  
Vol 74 (1-4) ◽  
pp. 305-315 ◽  
Author(s):  
Hermine Zime-Diawara ◽  
Georges Dive ◽  
Géraldine Piel ◽  
Mansourou Moudachirou ◽  
Michel Frederich ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Spectroscopic Studies

scholarly journals Molecular modeling and UV–vis spectroscopic studies on the mechanism of action of reversed chloroquine (RCQ)

2011 ◽  
Vol 21 (1) ◽  
pp. 250-254 ◽  
Author(s):  
Vanessa A. Otelo ◽  
Antonio C. Sant’Ana ◽  
Dalva L.A. de Faria ◽  
Carla M.S. Menezes
Keyword(s):  
Molecular Modeling ◽  
Mechanism Of Action ◽  
Spectroscopic Studies

Insights into the binding mechanism of a model protein with fomesafen: Spectroscopic studies, thermodynamics and molecular modeling exploration

2019 ◽  
Vol 1195 ◽  
pp. 892-903 ◽  
Author(s):  
Xue Dong ◽  
Leng Wang ◽  
Ruirui Feng ◽  
Zhaoyang Ren ◽  
Li Zhang ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Spectroscopic Studies ◽  
Binding Mechanism ◽  
Model Protein

scholarly journals Half-sandwich ruthenium(II)-arene complexes: synthesis, spectroscopic studies, biological properties, and molecular modeling

2019 ◽  
Vol 72 (1) ◽  
pp. 148-163
Author(s):  
Stefan Nikolić ◽  
Sanja Grgurić-Šipka ◽  
Ivana S. Djordjević ◽  
Rahma Dahmani ◽  
Dragana Dekanski ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Spectroscopic Studies ◽  
Biological Properties ◽  
Arene Complexes ◽  
Half Sandwich

An evolution-based designing and characterization of mutants of cyclomaltodextrinase: Molecular modeling and spectroscopic studies

2020 ◽  
Vol 230 ◽  
pp. 118055
Author(s):  
Jamshid Mehrvand ◽  
Nasim Hayati Roodbari ◽  
Leila Hassani ◽  
Vahab Jafarian ◽  
Khosrow Khalifeh
Keyword(s):  
Molecular Modeling ◽  
Spectroscopic Studies

Tetraazaoctaphyrin — A biimidazole-containing expanded porphyrin

2006 ◽  
Vol 84 (10) ◽  
pp. 1218-1225 ◽  
Author(s):  
Jonathan L Sessler ◽  
Bobbi L Rubin ◽  
Marcin Stępień ◽  
Thomas Köhler ◽  
G Dan Pantos ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Supramolecular Chemistry ◽  
Spectroscopic Studies ◽  
Relative Energy ◽  
Two Dimensional ◽  
Asymmetric Structures ◽  
Expanded Porphyrins ◽  
Expanded Porphyrin

A series of expanded porphyrins, incorporating biimidazoles and bipyrroles within their macrocyclic framework, has been synthesized. Insights into the complex conformational characteristics of these ems were obtained from two-dimensional NMR spectroscopic studies. The relative energy values for the various asymmetric structures inferred from these analyses were compared using DFT molecular modeling calculations.Key words: macrocycles, expanded porphyrins, imidazoles, pyrroles, biimidazoles, supramolecular chemistry, heterocycles.

Molecular modeling and spectroscopic studies on the binding of guaiacol to human immunoglobulin

2006 ◽  
Vol 49 (6) ◽  
pp. 550-559 ◽  
Author(s):  
Wenying He ◽  
Xiaojun Yao ◽  
Pengjun Liu ◽  
Zhenxia Gao ◽  
Zhide Hu
Keyword(s):  
Molecular Modeling ◽  
Spectroscopic Studies ◽  
Human Immunoglobulin

Chelerythrine–lysozyme interaction: spectroscopic studies, thermodynamics and molecular modeling exploration

2015 ◽  
Vol 17 (25) ◽  
pp. 16630-16645 ◽  
Author(s):  
Chandrima Jash ◽  
Pritha Basu ◽  
Pavan V. Payghan ◽  
Nanda Ghoshal ◽  
Gopinatha Suresh Kumar
Keyword(s):  
Molecular Modeling ◽  
Spectroscopic Studies ◽  
Modeling Studies ◽  
Molecular Modeling Studies

The binding of the iminium and alkanolamine forms of chelerythrine to lysozyme (Lyz) was investigated by spectroscopy and molecular modeling studies.

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