Results 31 to 40 of about 10,177 (227)

Aqueous Amino Acids and Proteins Near the Surface of Gold in Hydrophilic and Hydrophobic Force Fields [PDF]

, 2014
We calculate potentials of the mean force for twenty amino acids in the vicinity of the (111) surface of gold, for several dipeptides, and for some analogs of the side chains, using molecular dynamics simulations and the umbrella sampling method.
Cieplak, Marek, Nawrocki, Grzegorz
core   +1 more source

Synthesis and reactivity of 4-(trifluoromethyl)azetidin-2-ones [PDF]

, 2018
Because of the beneficial effect of a trifluoromethyl group on the biological properties of bioactive compounds on the one hand and the versatile synthetic potential of beta-lactams on the other hand, 4-CF3-beta-lactams comprises interesting entities for
D'hooghe, Matthias, Dao Thi, Hang, Van Nguyen, Tuyen   +2 more
core   +1 more source

Fullerene van der waals Oligomers as electron traps [PDF]

, 2014
Density functional theory calculations indicate that van der Waals fullerene dimers and larger oligomers can form interstitial electron traps in which the electrons are even more strongly bound than in isolated fullerene radical anions.
Clark, Tim, Guldi, Dirk M., Halik, Marcus, Jennepalli, Sreenu, Keller, Paul A., Pyne, Stephen G., Schubert, Christina, Sharapa, Dmitry I., Shubina, Tatyana E., Zahn, Dirk   +9 more
core   +2 more sources

Caveolin-1 Is a Critical Determinant of Autophagy, Metabolic Switching, and Oxidative Stress in Vascular Endothelium [PDF]

, 2014
Caveolin-1 is a scaffolding/regulatory protein that interacts with diverse signaling molecules. Caveolin-1null mice have marked metabolic abnormalities, yet the underlying molecular mechanisms are incompletely understood. We found the redox stress plasma
Kalwa, Hermann, Michel, Thomas, Romero, Natalia, Sartoretto, Juliano L., Shimokawa, Hiroaki, Shiroto, Takashi, Sugiyama, Toru, Yan, Zhonghua   +7 more
core   +6 more sources

Quantum mechanical calculation of the effects of stiff and rigid constraints in the conformational equilibrium of the Alanine dipeptide [PDF]

, 2006
If constraints are imposed on a macromolecule, two inequivalent classical models may be used: the stiff and the rigid one. This work studies the effects of such constraints on the Conformational Equilibrium Distribution (CED) of the model dipeptide HCO-L-
Abagyan, Allen, Almarza, Alonso, Alonso, Andersen, Andricioaei, Arnold, Baker, Barth, Beachy, Berendsen, Berendsen, Berman, Bordner, Born, Brooks, Chakrabarti, Chandler, Chen, Chun, Ciccotti, Cornell, Creighton, Császár, Daykov, Demchuk, Den Otter, Den Otter, Dill, Dinner, Dobson, Dobson, Echenique, Echenique, Elstner, Fixman, Fixman, Frenkel, Gottlieb, Gunasekaran, Gō, Gō, Halgren, Halgren, Halgren, Halgren, Halgren, Halls, He, Helfand, Hess, Hnizdo, Jorgensen, Jorgensen, Karplus, Knapp, Lesk, Levine, Levinthal, Láng, MacKerell, MacKerell, Mardia, Mazars, Mazars, Morse, Pasquali, Patriciu, Pear, Pearlman, Perchak, Perczel, Pertsin, Rallison, Ramachandran, Reich, Reich, Ryckaert, Schlick, Schlitter, Schmidt, Schofield, Schäfer, Scott, Van Gunsteren, Van Gunsteren, Van Kampen, Vargas, Viskolcz, Volkenstein, Wilson, Yu, Zhou, Álvarez-Estrada, Álvarez-Estrada   +95 more
core   +3 more sources

Halophiles and Their Biomolecules: Recent Advances and Future Applications in Biomedicine [PDF]

, 2020
The organisms thriving under extreme conditions better than any other organism living on Earth, fascinate by their hostile growing parameters, physiological features, and their production of valuable bioactive metabolites.
Amoozegar, Mohammad Ali, Corral Villa, Paulina, Ventosa Ucero, Antonio   +2 more
core   +1 more source

Synthesis of leucine-based cyclic dipeptides

Proceedings of the National Academy of Sciences of Belarus, Chemical Series, 2020
3-benzyl-6-isobutylpiperazin-2,5-dione [cyclo(leucylphenylalanyl)], 3-isobutylpiperazin-2,5-dione [cyclo(-leucylglycyl)] and 3-(sec-butyl-)-6-isobutyl-piperazine-2,5-dione [cyclo(leucylisoleucine)] have been obtained by cyclization of methyl esters of tert-butyloxycarbonyl derivatives of dipeptides, for the synthesis of which both carbodiimide-promoted
V. A. Haidukevich, L. A. Popova, P. V. Kurman, V. A. Knizhnikov   +3 more
openaire   +2 more sources

Structure-Based Exploration of Cyclic Dipeptide Chitinase Inhibitors [PDF]

Journal of Medicinal Chemistry, 2004
Family 18 chitinases play an essential role in a range of pathogens and pests. Several inhibitors are known, including the potent inhibitors argadin and allosamidin, and the structures of these in complex with chitinases have been elucidated. Recent structural analysis has revealed that CI-4 [cyclo-(L-Arg-D-Pro)] inhibits family 18 chitinases by ...
Houston, Douglas R., Synstad, Bjørnar, Eijsink, Vincent G. H., Stark, Michael J. R., Eggleston, Ian M., van Aalten, Daan M. F.   +5 more
openaire   +3 more sources

Bioactive Secondary Metabolites from Marine Streptomyces griseorubens f8: Isolation, Identification and Biological Activity Assay

Journal of Marine Science and Engineering, 2021
Marine actinomycetes are a potential source of a wide variety of bioactive natural products. Herein, four cyclic dipeptides, namely, cyclo(L-Val-L-Pro) (compound 1), cyclo(L-Pro-L-Leu) (compound 2), cyclo(L-Pro-L-Tyr) (compound 3) and cyclo(L-Pro-L-Phe) (
Wenzhi Yang, Guangjie Liang, Yang Sun, Zhijin Gong   +3 more
doaj   +1 more source

The Structural Characterisation and DFT-Aided Interpretation of Vibrational Spectra for Cyclo(l-Cys-d-Cys) Cyclic Dipeptide in a Solid State

Molecules, 2023
Cyclic dipeptides with two intramolecular peptide bonds forming a six-membered 2,5-diketopiperazine ring are gaining significant attention due to their biological and chemical properties. Small changes in the local geometry of such molecules (from cis to
Marcin Witkowski, Damian Trzybiński, Sylwia Pawlędzio, Krzysztof Woźniak, Wojciech Dzwolak, Agata Królikowska   +5 more
doaj   +1 more source