Quantitative structure of a complex between a minor-groove-specific drug and a bent DNA decamer duplex: use of 2D NMR data and NOESY constrained energy minimization

Biochemistry ◽  
1990 ◽  
Vol 29 (19) ◽  
pp. 4723-4734 ◽  
Author(s):  
Mukti H. Sarma ◽  
Goutam Gupta ◽  
Angel E. Garcia ◽  
Kimiko Umemoto ◽  
Ramaswamy H. Sarma
Keyword(s):  
Energy Minimization ◽  
2D Nmr ◽  
Minor Groove ◽  
Specific Drug ◽  
Quantitative Structure ◽  
Bent Dna ◽  
Nmr Data ◽  
A Minor

scholarly journals Antitumor Trans Platinum Adducts of GMP and AMP

2000 ◽  
Vol 7 (4) ◽  
pp. 169-176 ◽  
Author(s):  
Yangzhong Liu ◽  
Maria F. Sivo ◽  
Giovanni Natile ◽  
Einar Sletten
Keyword(s):  
Antitumor Activity ◽  
Energy Minimization ◽  
Qualitative Agreement ◽  
Early Stage ◽  
2D Nmr ◽  
The Other ◽  
Coordination Geometry ◽  
Nmr Data ◽  
Monofunctional Adducts

Recently it has been shown that several analogues of the clinically ineffective trans-DDP exhibit antitumor activity comparable to that of cis-DDP. The present paper describes the binding of antitumor trans-[PtCl2(E-iminoether)2] (trans-EE) to guanosinemonophosphate (GMP) and adenosinemonophosphate (AMP). We have used HPLC and H1 and N15 NMR to characterize the different adducts. In the case of a 1:1 mixture of trans-EE and GMP, at an early stage of the reaction, a monofunctional adduct is formed which, subsequently, is partly converted into a monosolvated monofunctional species. After about 70 hours an equilibrium is established between chloro and solvato monofunctional adducts at a ratio of 30/70. In the presence of excess GMP (4:1) the initially formed monofunctional adducts react further to give two bifunctional adducts, one with the iminoether ligands in their original E configurations and the other with the iminoether ligands having one E and the other, Z configurations. The coordination geometry obtained by energy minimization calculations is in qualitative agreement with 2D NMR data.

Solution behavior and complete proton and carbon-13 NMR assignments of the coenzyme B12 derivative (5'-deoxyadenosyl)cobinamide using modern 2D NMR experiments, including 600 MHz proton NMR data

1989 ◽  
Vol 111 (4) ◽  
pp. 1484-1491 ◽  
Author(s):  
Thomas G. Pagano ◽  
Paulos G. Yohannes ◽  
Benjamin P. Hay ◽  
Jerry R. Scott ◽  
Richard G. Finke ◽  
...  
Keyword(s):  
Nmr Assignments ◽  
Proton Nmr ◽  
2D Nmr ◽  
Coenzyme B12 ◽  
Solution Behavior ◽  
Nmr Data

scholarly journals Chemical constituents of Chaenomeles sinensis twigs and their biological activity

2020 ◽  
Vol 16 ◽  
pp. 3078-3085
Author(s):  
Joon Min Cha ◽  
Dong Hyun Kim ◽  
Lalita Subedi ◽  
Zahra Khan ◽  
Sang Un Choi ◽  
...  
Keyword(s):  
Biological Activity ◽  
Data Analysis ◽  
Cell Lines ◽  
Chemical Structure ◽  
Biological Effects ◽  
Chemical Constituents ◽  
2D Nmr ◽  
Nmr Data ◽  
Chaenomeles Sinensis ◽  
Modified Mosher’S Method

A new megastigmane-type norsesquiterpenoid glycoside, chaemeloside (1), was isolated from the twigs of Chaenomeles sinensis together with 11 known phytochemicals through chromatographic methods. The chemical structure of the new isolate 1 was determined by conventional 1D and 2D NMR data analysis, ECD experiment, hydrolysis followed by a modified Mosher’s method, and LC–MS analysis. The characterized compounds’ biological effects including cytotoxicity against cancer cell lines, antineuroinflammatory activity, and potential neurotrophic effect were evaluated.

scholarly journals Restricticin B from the Marine Fungus Penicillium janthinellum and Its Inhibitory Activity on the NO Production in BV-2 Microglia Cells

2020 ◽  
Author(s):  
Byeonung-Kyu Choi ◽  
Shin-Young Park ◽  
Song-Hee Jo ◽  
Dong-Kug Choi ◽  
Phan Thi Hoai Trinh ◽  
...  
Keyword(s):  
Inhibitory Activity ◽  
Optical Rotation ◽  
2D Nmr ◽  
Marine Fungus ◽  
No Production ◽  
Spectroscopy Data ◽  
Penicillium Janthinellum ◽  
Etoac Extract ◽  
Data Comparison ◽  
Nmr Data

A new compound containing a triene, a tetrahydropyran ring and glycine ester functionalities, restricticin B (1), together with four known compounds (2-5) were obtained from the EtOAc extract of the marine fungus Penicillium janthinellum. The planar structure of 1 was determined by detailed analyses of MS, 1D and 2D NMR data. The relative and absolute configurations of 1 were established via analyses of NOESY spectroscopy data, comparison of optical rotation values with those of restricticin derivatives reported and electronic circular dichroism (ECD). All the compounds were screened for their anti-neuroinflammatory effects in lipopolysaccharide (LPS)-induced BV-2 microglia cells. Restricticin B (1) and N-acetyl restricticin (2) exhibited anti-neuroinflammatory effects by suppressing the production of pro-inflammatory mediators in activated microglial cells.

scholarly journals A NEW CYTOTOXIC DOLABELLANE FROM THE INDONESIAN SOFT CORAL Anthelia sp.

2013 ◽  
Vol 13 (3) ◽  
pp. 216-220 ◽  
Author(s):  
Anggia Murni ◽  
Novriyandi Hanif ◽  
Junichi Tanaka
Keyword(s):  
Mass Spectrometry ◽  
Drug Development ◽  
Ethyl Acetate ◽  
Spectroscopic Data ◽  
Soft Coral ◽  
Ethyl Acetate Extract ◽  
2D Nmr ◽  
Cancer Drug ◽  
Nmr Data ◽  
Anti Cancer

One new dolabellane (1) and two known diterpenoids stolonidiol (2) and clavinflol B (3) have been isolated from the ethyl acetate extract of the Indonesian soft coral Anthelia sp. A new compound 1 exhibited a moderate cytotoxicity against NBT-T2 cells at 10 µg/mL, while known compounds 2 and 3 showed cytotoxicity at 1 and 0.5 µg/mL, respectively. Structure of the new compound 1 was elucidated by interpretation of NMR spectroscopic data (1D and 2D NMR data) and mass spectrometry (ESIMS data) as well as comparison with those of related ones. This finding should be useful for anti cancer drug development of the promising dolabellane-types compound.

A Minor Groove Binding Copper-Phenanthroline Conjugate Produces Direct Strand Breaks via β-Elimination of 2-Deoxyribonolactone

2002 ◽  
Vol 124 (31) ◽  
pp. 9062-9063 ◽  
Author(s):  
Brian C. Bales ◽  
Marguerite Pitié ◽  
Bernard Meunier ◽  
Marc M. Greenberg
Keyword(s):  
Minor Groove ◽  
Minor Groove Binding ◽  
Groove Binding ◽  
Strand Breaks ◽  
A Minor

Specific DNA Recognition by a Synthetic, Monomeric Cys2His2 Zinc-Finger Peptide Conjugated to a Minor-Groove Binder

2007 ◽  
Vol 119 (36) ◽  
pp. 7010-7014 ◽  
Author(s):  
Olalla Vázquez ◽  
M. Eugenio Vázquez ◽  
Juan B. Blanco ◽  
Luis Castedo ◽  
José L. Mascareñas
Keyword(s):  
Zinc Finger ◽  
Dna Recognition ◽  
Minor Groove ◽  
Minor Groove Binder ◽  
A Minor ◽  
Zinc Finger Peptide
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