Cargando…

Interaction of Radiopharmaceuticals with Somatostatin Receptor 2 Revealed by Molecular Dynamics Simulations

[Image: see text] The development of drugs targeting somatostatin receptor 2 (SSTR2), generally overexpressed in neuroendocrine tumors, is focus of intense research. A few molecules in conjugation with radionuclides are in clinical use for both diagnostic and therapeutic purposes. These radiopharmac...

Descripción completa

Detalles Bibliográficos
Autores principales:	Gervasoni, Silvia, Öztürk, Işılay, Guccione, Camilla, Bosin, Andrea, Ruggerone, Paolo, Malloci, Giuliano
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2023
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10428218/ https://www.ncbi.nlm.nih.gov/pubmed/37466559 http://dx.doi.org/10.1021/acs.jcim.3c00712

Ejemplares similares

Molecular simulations of SSTR2 dynamics and interaction with ligands
por: Gervasoni, Silvia, et al.
Publicado: (2023)

AB-DB: Force-Field parameters, MD trajectories, QM-based data, and Descriptors of Antimicrobials
por: Gervasoni, Silvia, et al.
Publicado: (2022)

Recognition of quinolone antibiotics by the multidrug efflux transporter MexB of Pseudomonas aeruginosa
por: Gervasoni, Silvia, et al.
Publicado: (2022)

Molecular Interactions of Carbapenem Antibiotics with the Multidrug Efflux Transporter AcrB of Escherichia coli
por: Atzori, Alessio, et al.
Publicado: (2020)

Common recognition topology of mex transporters of Pseudomonas aeruginosa revealed by molecular modelling
por: Catte, Andrea, et al.
Publicado: (2022)

A Database of Force-Field Parameters, Dynamics, and Properties of Antimicrobial Compounds
por: Malloci, Giuliano, et al.
Publicado: (2015)

Molecular determinants of avoidance and inhibition of Pseudomonas aeruginosa MexB efflux pump
por: Gervasoni, Silvia, et al.
Publicado: (2023)

Tripartite efflux pumps of the RND superfamily: what did we learn from computational studies?
por: Athar, Mohd, et al.
Publicado: (2023)

Molecular Determinants of the Promiscuity of MexB and MexY Multidrug Transporters of Pseudomonas aeruginosa
por: Ramaswamy, Venkata K., et al.
Publicado: (2018)

Molecular Rationale behind the Differential Substrate Specificity of Bacterial RND Multi-Drug Transporters
por: Ramaswamy, Venkata Krishnan, et al.
Publicado: (2017)

Time-Dependent Density Functional Theory Investigation on the Electronic and Optical Properties of Poly-C,Si,Ge-acenes
por: Mocci, Paola, et al.
Publicado: (2020)

Radiolabeled Somatostatin Analogs—A Continuously Evolving Class of Radiopharmaceuticals
por: Fani, Melpomeni, et al.
Publicado: (2022)

Molecular rationale for the impairment of the MexAB-OprM efflux pump by a single mutation in MexA
por: Cacciotto, Pierpaolo, et al.
Publicado: (2021)

Molecular Dynamics Computer Simulations of Multidrug RND Efflux Pumps
por: Ruggerone, Paolo, et al.
Publicado: (2013)

Molecular dynamics simulation of Fe-NO(2) At-alpha mangostin as radiopharmaceutical model for detection of fatty acid synthase in cancer
por: Rosilawati, N. Elly, et al.
Publicado: (2021)

A framework for dissecting affinities of multidrug efflux transporter AcrB to fluoroquinolones
por: Vergalli, Julia, et al.
Publicado: (2022)

(64)Cu-based Radiopharmaceuticals in Molecular Imaging
por: Zhou, Yeye, et al.
Publicado: (2019)

Radiopharmaceuticals for therapy
por: Knapp, F F (Russ), et al.
Publicado: (2016)

PET Radiopharmaceuticals
por: Shahhosseini, Soraya
Publicado: (2011)

Pharmacovigilance in radiopharmaceuticals
por: Kumar, Rishi, et al.
Publicado: (2016)

The challenge of intracellular antibiotic accumulation, a function of fluoroquinolone influx versus bacterial efflux
por: Vergalli, Julia, et al.
Publicado: (2020)

Computational Insights into the Sequence-Activity Relationships of the NGF(1–14) Peptide by Molecular Dynamics Simulations
por: Vittorio, Serena, et al.
Publicado: (2022)

Novel Biological and Molecular Characterization in Radiopharmaceutical Preclinical Design
por: Urbano, Nicoletta, et al.
Publicado: (2021)

Radiopharmaceuticals in monitoring cancer
por: Britton, Keith E., et al.
Publicado: (2015)

Are we “preparing” radiopharmaceuticals?
por: Decristoforo, Clemens, et al.
Publicado: (2016)

Interaction of antibacterial compounds with RND eﬄux pumps in Pseudomonas aeruginosa
por: Dreier, Jürg, et al.
Publicado: (2015)

Perturbed structural dynamics underlie inhibition and altered efflux of the multidrug resistance pump AcrB
por: Reading, Eamonn, et al.
Publicado: (2020)

Combining Molecular Dynamics and Docking Simulations to Develop Targeted Protocols for Performing Optimized Virtual Screening Campaigns on the hTRPM8 Channel
por: Talarico, Carmine, et al.
Publicado: (2020)

In vivo nanoparticle-mediated radiopharmaceutical-excited fluorescence molecular imaging
por: Hu, Zhenhua, et al.
Publicado: (2015)

Molecular imaging in oncology: Common PET/CT radiopharmaceuticals and applications()
por: Franquet, Elisa, et al.
Publicado: (2022)

Studying Interactions by Molecular Dynamics Simulations at High Concentration
por: Fogolari, Federico, et al.
Publicado: (2012)

Extensive Sampling of Molecular Dynamics Simulations to Identify Reliable Protein Structures for Optimized Virtual Screening Studies: The Case of the hTRPM8 Channel
por: Gervasoni, Silvia, et al.
Publicado: (2022)

All-Atom Molecular Dynamics Investigations on the Interactions between D2 Subunit Dopamine Receptors and Three (11)C-Labeled Radiopharmaceutical Ligands
por: Moldovean, Sanda Nastasia, et al.
Publicado: (2022)

Estimation of biological effect of Cu-64 radiopharmaceuticals with Geant4-DNA simulation
por: Kusumoto, Tamon, et al.
Publicado: (2022)

Alternative and New Radiopharmaceutical Agents for Lung Cancer
por: Telo, Silvi, et al.
Publicado: (2020)

Dissociation of minor groove binders from DNA: insights from metadynamics simulations
por: Vargiu, Attilio Vittorio, et al.
Publicado: (2008)

Chlorpromazine and Amitriptyline Are Substrates and Inhibitors of the AcrB Multidrug Efflux Pump
por: Grimsey, Elizabeth M., et al.
Publicado: (2020)

Advanced Computational Methods in Molecular Medicine
por: Giorgetti, Alejandro, et al.
Publicado: (2012)

Transport processes of radiopharmaceuticals and -modulators
por: Efferth, Thomas, et al.
Publicado: (2011)

Innovative radiopharmaceuticals in oncology and neurology
por: Kraeber-Bodéré, Françoise, et al.
Publicado: (2017)

Cannot write session to /tmp/vufind_sessions/sess_gptsh7dr3i4tb3uj4c7kco5a5v