Cargando…

Factors governing the competition between group IA and IB cations for monensin A: a DFT/PCM study

The affinity of monensin A to bind monovalent metal cations was evaluated by means of density functional theory (DFT) combined with polarizable continuum model (PCM) computations. The effect of various factors on complex formation between the monensinate A anion and group IA and IB metal ions was as...

Descripción completa

Detalles Bibliográficos
Autores principales:	Dudev, Todor, Cheshmedzhieva, Diana, Dimitrova, Radoslava, Dorkov, Peter, Pantcheva, Ivayla
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2020
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9049293/ https://www.ncbi.nlm.nih.gov/pubmed/35497416 http://dx.doi.org/10.1039/c9ra09784h

Ejemplares similares

A DFT/PCM Study on the Affinity of Salinomycin to Bind Monovalent Metal Cations
por: Dudev, Todor, et al.
Publicado: (2022)

Novel Cerium(IV) Coordination Compounds of Monensin and Salinomycin
por: Petkov, Nikolay, et al.
Publicado: (2023)

Dinuclear vs. Mononuclear Copper(II) Coordination Species of Tylosin and Tilmicosin in Non-Aqueous Solutions
por: Pantcheva, Ivayla, et al.
Publicado: (2022)

Host–guest interactions between p-sulfonatocalix[4]arene and p-sulfonatothiacalix[4]arene and group IA, IIA and f-block metal cations: a DFT/SMD study
por: Nikolova, Valya K, et al.
Publicado: (2019)

Complexation of biologically essential (mono- and divalent) metal cations to cucurbiturils: a DFT/SMD evaluation of the key factors governing the host–guest recognition
por: Kircheva, Nikoleta, et al.
Publicado: (2020)

Synthesis, Photophysical Characterization, and Sensor Activity of New 1,8-Naphthalimide Derivatives
por: Yordanova-Tomova, Stanislava, et al.
Publicado: (2020)

Ca(2+)/Sr(2+) Selectivity in Calcium-Sensing Receptor (CaSR): Implications for Strontium’s Anti-Osteoporosis Effect
por: Cheshmedzhieva, Diana, et al.
Publicado: (2021)

Metal-Assisted Complexation of Fluorogenic Dyes by Cucurbit[7]uril and Cucurbit[8]uril: A DFT Evaluation of the Key Factors Governing the Host–Guest Recognition
por: Kircheva, Nikoleta, et al.
Publicado: (2023)

Effects of ionization on stability of 1-methylcytosine — DFT and PCM studies
por: Raczyńska, Ewa D., et al.
Publicado: (2016)

Intermediates in monensin biosynthesis: A late step in biosynthesis of the polyether ionophore monensin is crucial for the integrity of cation binding
por: Hüttel, Wolfgang, et al.
Publicado: (2014)

How Native and Alien Metal Cations Bind ATP: Implications for Lithium as a Therapeutic Agent
por: Dudev, Todor, et al.
Publicado: (2017)

Competition between Li(+) and Na(+) in sodium transporters and receptors: Which Na(+)-Binding sites are “therapeutic” Li(+) targets?
por: Dudev, Todor, et al.
Publicado: (2018)

Microheterogeneity of Topoisomerase IA/IB and Their DNA-Bound States
por: Jeanne Dit Fouque, Kevin, et al.
Publicado: (2019)

Cu(+)/Ag(+) Competition in Type I Copper Proteins (T1Cu)
por: Kircheva, Nikoleta, et al.
Publicado: (2023)

Automation/PCM
por: Stambaugh, Wayne, et al.
Publicado: (2022)

Lanthanides as Calcium Mimetic Species in Calcium-Signaling/Buffering Proteins: The Effect of Lanthanide Type on the Ca(2+)/Ln(3+) Competition
por: Nikolova, Valya, et al.
Publicado: (2023)

The enhancement of stress-related memory by glucocorticoids depends on synapsin-Ia/Ib
por: Revest, J-M, et al.
Publicado: (2010)

How Theoretical Evaluations Can Generate Guidelines for Designing/Engineering Metalloproteins with Desired Metal Affinity and Selectivity
por: Dudev, Todor
Publicado: (2022)

Rubidium(I) monensinate dihydrate
por: Yıldırım, Sema Öztürk, et al.
Publicado: (2007)

PCM 89-05
Publicado: (1989)

PCM 89-03
Publicado: (1989)

PCM 89-04
Publicado: (1989)

PCM 89-1
Publicado: (1989)

PCM 89 - 06
por: Kuiper, B
Publicado: (1989)

Class I hysterectomy in stage Ia2-Ib1 cervical cancer
por: Chen, Long, et al.
Publicado: (2018)

Prognostic factors for tumor recurrence in endometrioid endometrial cancer stages IA and IB
por: Han, Kyung Hee, et al.
Publicado: (2017)

A theoretical study of allopurinol drug sensing by carbon and boron nitride nanostructures: DFT, QTAIM, RDG, NBO and PCM insights
por: Miah, Md. Helal, et al.
Publicado: (2021)

Immunity to the group B streptococci: interaction of serum and macrophages with types Ia, Ib, and Ic
Publicado: (1976)

Safety and efficacy of a feed additive consisting of the bacteriophages PCM F/00069, PCM F/00070, PCM F/00071 and PCM F/00097 (Bafasal®) for all avian species (Proteon Pharmaceuticals S.A.)
por: Bampidis, Vasileios, et al.
Publicado: (2023)

PCM and digital transmission systems
por: Owen, Frank F E
Publicado: (1982)

Ion Selectivity in the Selectivity Filters of Acid-Sensing Ion Channels
por: Dudev, Todor, et al.
Publicado: (2015)

Antibacterial activity identification of pCM19 and pCM12 derived from hGlyrichin
por: Sha, Jibin, et al.
Publicado: (2016)

Novel Salinomycin-Based Paramagnetic Complexes—First Evaluation of Their Potential Theranostic Properties
por: Pashkunova-Martic, Irena, et al.
Publicado: (2022)

Inhibition of the assembly of Newcastle disease virus by monensin
por: Tetsuya, Yoshida, et al.
Publicado: (1986)

Inhibition by monensin of human cytomegalovirus DNA replication
por: Kaiser, C. J., et al.
Publicado: (1987)

TRANSPORT OF VIRAL GLYCOPROTEINS AND ITS MODULATION BY MONENSIN
por: Alonso-Caplen, Firelli V., et al.
Publicado: (1984)

Variations of the tautomeric preferences and π-electron delocalization for the neutral and redox forms of purine when proceeding from the gas phase (DFT) to water (PCM)
por: Raczyńska, Ewa D., et al.
Publicado: (2013)

Novel Fluorescent Benzothiazolyl-Coumarin Hybrids as Anti-SARS-COVID-2 Agents Supported by Molecular Docking Studies: Design, Synthesis, X-ray Crystal Structures, DFT, and TD-DFT/PCM Calculations
por: Abdallah, Amira E. M., et al.
Publicado: (2023)

Safety and efficacy of a feed additive consisting on the bacteriophages PCM F/00069, PCM F/00070, PCM F/00071 and PCM F/00097 infecting Salmonella Gallinarum B/00111 (Bafasal(®)) for all avian species (Proteon Pharmaceuticals S.A.)
por: Bampidis, Vasileios, et al.
Publicado: (2021)

Early stage (IA-IB) primary carcinoma of the fallopian tube: case-control comparison to adenocarcinoma of the ovary
por: Vaysse, Charlotte, et al.
Publicado: (2011)

Cannot write session to /tmp/vufind_sessions/sess_kf8b0jait19q6c40pl6hd6c6qp