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Full-Text Articles in Chemistry
Structural Elements Of An Nrps Cyclization Domain And Its Intermodule Docking Domain, Daniel P. Dowling, Yan Kung, Anna K. Croft, Koli Taghizadeh, Wendy L. Kelly, Christopher T. Walsh, Catherine L. Drennan
Structural Elements Of An Nrps Cyclization Domain And Its Intermodule Docking Domain, Daniel P. Dowling, Yan Kung, Anna K. Croft, Koli Taghizadeh, Wendy L. Kelly, Christopher T. Walsh, Catherine L. Drennan
Chemistry Faculty Research and Scholarship
Epothilones are thiazole-containing natural products with anticancer activity that are biosynthesized by polyketide synthase (PKS)-nonribosomal peptide synthetase (NRPS) enzymes EpoA–F. A cyclization domain of EpoB (Cy) assembles the thiazole functionality from an acetyl group and L-cysteine via condensation, cyclization, and dehydration. The PKS carrier protein of EpoA contributes the acetyl moiety, guided by a docking domain, whereas an NRPS EpoB carrier protein contributes L-cysteine. To visualize the structure of a cyclization domain with an accompanying docking domain, we solved a 2.03-Å resolution structure of this bidomain EpoB unit, comprising residues M1-Q497 (62 kDa) of the 160-kDa EpoB protein. We find …
Crystal Structure Of Di-Aqua-Bis-(7-Di-Ehtyl-Amino-3-Formyl-2-Oxo-2h-Chromen-4-Olato-Κ(2) O (3), O (4))Zinc(Ii) Dimethyl Sulfoxide Disolvate, Aaron B. Davis, Frank R. Fronczek, Karl J. Wallace
Crystal Structure Of Di-Aqua-Bis-(7-Di-Ehtyl-Amino-3-Formyl-2-Oxo-2h-Chromen-4-Olato-Κ(2) O (3), O (4))Zinc(Ii) Dimethyl Sulfoxide Disolvate, Aaron B. Davis, Frank R. Fronczek, Karl J. Wallace
Faculty Publications
The structure of the title coordination complex, [Zn(C14H14NO4)2(H2O)2]·2C2H6OS, shows that the ZnII cation adopts an octahedral geometry and lies on an inversion center. Two organic ligands occupy the equatorial positions of the coordination sphere, forming a chelate ring motif via the O atom on the formyl group and another O atom of the carbonyl group (a pseudo--diketone motif). Two water molecules occupy the remaining coordination sites of the ZnII cation in the axial positions. The water molecules are each hydrogen bonded to …
Crystal Structures Of (Z)-5-[2-(Benzo[B]Thiophen-2-Yl)-1-(3,5-Dimethoxyphenyl)Ethenyl]-1H-Tetrazole And (Z)-5-[2-(Benzo[B]Thiophen-3-Yl)-1-(3,4,5-Trimethoxyphenyl)Ethenyl]-1H-Tetrazole, Narsimha Reddy Penthala, Jaishankar K. B. Yadlapalli, Sean Parkin, Peter A. Crooks
Crystal Structures Of (Z)-5-[2-(Benzo[B]Thiophen-2-Yl)-1-(3,5-Dimethoxyphenyl)Ethenyl]-1H-Tetrazole And (Z)-5-[2-(Benzo[B]Thiophen-3-Yl)-1-(3,4,5-Trimethoxyphenyl)Ethenyl]-1H-Tetrazole, Narsimha Reddy Penthala, Jaishankar K. B. Yadlapalli, Sean Parkin, Peter A. Crooks
Chemistry Faculty Publications
(Z)-5-[2-(Benzo[b]thiophen-2-yl)-1-(3,5-dimethoxyphenyl)ethenyl]-1H-tetrazole methanol monosolvate, C19H16N4O2S·CH3OH, (I), was prepared by the reaction of (Z)-3-(benzo[b]thiophen-2-yl)-2-(3,5-dimethoxyphenyl)acrylonitrile with tributyltin azide via a [3 + 2]cycloaddition azide condensation reaction. The structurally related compound (Z)-5-[2-(benzo[b]thiophen-3-yl)-1-(3,4,5-trimethoxyphenyl)ethenyl]-1H-tetrazole, C20H18N4O3S, (II), was prepared by the reaction of (Z)-3-(benzo[b]thiophen-3-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile with tributyltin azide. Crystals of (I) have two molecules in the asymmetric unit (Z′ = 2), whereas crystals of (II) have Z′ …
Synthesis, Crystal Structure, And Rearrangements Of Ortho-Cyclophane Cyclotetraveratrylene (Cttv) Tetraketone, Marlon R. Lutz Jr., Matthias Zeller, Samuel R.S. Sarsah, Artur Filipowicz, Hailey Wouters, Daniel Becker
Synthesis, Crystal Structure, And Rearrangements Of Ortho-Cyclophane Cyclotetraveratrylene (Cttv) Tetraketone, Marlon R. Lutz Jr., Matthias Zeller, Samuel R.S. Sarsah, Artur Filipowicz, Hailey Wouters, Daniel Becker
Daniel P. Becker
Oxidation of cyclotetraveratrylene (CTTV) with potassium permanganate in pyridine under reflux gave tetraketone (the [14]ketonand) 3 which exists as a previously unobserved barrel conformation with S4symmetry in the crystal structure, although the more familiar ‘boat’ conformer was shown by semi-empirical AM1 calculations to be 3.03 kcal/mol lower in energy. In addition to CTTV tetraketone 3, an isomeric bis-spirolactone 4 was isolated from the basic oxidation conditions, analogous to the product of trans-annular attack and rearrangement observed with oxidation of cyclotriveratrylene, whereas in acid at elevated temperatures, tetraketone 3 underwent a very efficient rearrangement and decarboxylation to afford the highly symmetric …
Crystal Structure Of Ethyl 4-[(E)-(4-Hy-Droxy-3-Meth-Oxy-Benzyl-Idene)Amino]-Benzoate: A P-Hy-Droxy Schiff Base, Jing Ling, Padmini Kavuru, Lukasz Wojtas, Keith Chadwick
Crystal Structure Of Ethyl 4-[(E)-(4-Hy-Droxy-3-Meth-Oxy-Benzyl-Idene)Amino]-Benzoate: A P-Hy-Droxy Schiff Base, Jing Ling, Padmini Kavuru, Lukasz Wojtas, Keith Chadwick
Chemistry Faculty Publications
The title p-hy-droxy Schiff base, C17H17NO4, was synthesized via the condensation reaction of benzocaine with vanillin. The benzyl-idine and benzoate rings are inclined to one another by 24.58 (8)°, and the conformation about the C=N bond is E. In the crystal, mol-ecules are linked by O-H⋯N hydrogen bonds, forming zigzag chains propagating along [010]. Adjacent chains are linked by C-H⋯π and weak offset π-π inter-actions [inter-centroid distance = 3.819 (1) Å], forming sheets parallel to (10-2).
A Novel Copper (Ii) Complex Identified As A Potent Drug Against Colorectal And Breast Cancer Cells And As A Poison Inhibitor For Human Topoisomerase Iiᶐ, Shayna Sandhaus, Rosella Taylor, Tiffany Edwards, Alexis Huddleston, Stephen J. Beebe, Alvin A. Holder
A Novel Copper (Ii) Complex Identified As A Potent Drug Against Colorectal And Breast Cancer Cells And As A Poison Inhibitor For Human Topoisomerase Iiᶐ, Shayna Sandhaus, Rosella Taylor, Tiffany Edwards, Alexis Huddleston, Stephen J. Beebe, Alvin A. Holder
Bioelectrics Publications
A novel complex, [Cu(acetylethTSC)Cl]Cl · 0.25C2H5OH 1 (where acetylethTSC = (E)-N-ethyl-2-[1-(thiazol-2-yl)ethylidene]hydrazinecarbothioamide), was shown to have anti-proliferative activity against various colon and aggressive breast cancer cell lines. In vitro studies showed that complex 1 acted as a poison inhibitor of human topoisomerase IIᶐ which may account for the observed anti-cancer effects.
Synthesis And Photochromism Of New Asymmetrical Diarylethenes With A Variable Heteroaryl Ring And A Quinoline Unit, Hongyan Xu, Renjie Wang, Congbin Fan, Gang Liu, Shouzhi Pu
Synthesis And Photochromism Of New Asymmetrical Diarylethenes With A Variable Heteroaryl Ring And A Quinoline Unit, Hongyan Xu, Renjie Wang, Congbin Fan, Gang Liu, Shouzhi Pu
Turkish Journal of Chemistry
Three new asymmetrical photochromic diarylethenes containing a variable heteroaryl ring and a quinoline unit were synthesized and their structures were determined by single-crystal X-ray diffraction analysis. Their properties, including photochromism, acidichromism, and fluorescence, were investigated systematically. For these diarylethenes, the one with an indole moiety had the largest absorption maximum, cyclization quantum yield, photoconversion ratio, emission peak, and fluorescent modulation efficiency. In addition, these diarylethenes exhibited an evident dual switching behavior induced by the stimulation of acid/base and UV/Vis. Addition of trifluoroacetic acid to solution of the diarylethenes produced protonated derivatives with notable changes in their absorption spectra. These results …
Crystal Structure Of (E)-2-[(2- Bromo-3-Pyridyl)Methylidene]-6-Methoxy-3,4-Dihydronaphthalen-1-One And 3-[(E)-(6- Methoxy-3,4-Dihydronaphth-2-Oylidene)Methyl]-1h-Pyridin-2-One, Sarah K. Zingales, Morgan E. Moore, Andrew D. Goetz, Clifford W. Padgett
Crystal Structure Of (E)-2-[(2- Bromo-3-Pyridyl)Methylidene]-6-Methoxy-3,4-Dihydronaphthalen-1-One And 3-[(E)-(6- Methoxy-3,4-Dihydronaphth-2-Oylidene)Methyl]-1h-Pyridin-2-One, Sarah K. Zingales, Morgan E. Moore, Andrew D. Goetz, Clifford W. Padgett
Department of Chemistry and Biochemistry Faculty Publications
The title compounds C17H14BrNO2, (I), and C17H15NO3, (II), were obtained from the reaction of 6-methoxy-3,4-dihydro-2H-naphthalen-1-one and 2-bromonicotinaldehyde in ethanol. Compound (I) was the expected product and compound (II) was the oxidation product from air exposure. In the crystal structure of compound (I), there are no short contacts or hydrogen bonds. The structure does display [pi]-[pi] interactions between adjacent benzene rings and adjacent pyridyl rings. Compound (II) contains two independent molecules, A and B, in the asymmetric unit; both are non-planar, the dihedral angles between the methoxybenzene and 1H-pyridin-2-one mean planes being 35.07 (9)° in A and 35.28 (9)°in B. In …