Publications by authors named "Mine Yurtsever"

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An in-depth study of clofarabine's binding mechanism to DNA: A thorough experimental and theoretical investigation.
Soykan Agar, Pelin Şenel, Abdullah Al Faysal, Ayşegül Gölcü, Mine Yurtsever

Comput Biol Chem· August 2025

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Investigating the interactions of Axitinib, a tyrosine kinase inhibitor, with DNA: experimental studies, molecular docking, and molecular dynamics simulations.
Pelin Şenel, Abdullah Al Faysal, Soykan Agar, Mine Yurtsever, Ayşegül Gölcü

Nucleosides Nucleotides Nucleic Acids· June 2025

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Electrochemical quantification based on the interactions of nucleoside analog cladribine with dsDNA via experimental and in-silico studies.
Pelin Şenel, Abdullah Al Faysal, Soykan Agar, Mine Yurtsever, Ayşegül Gölcü

Int J Biol Macromol· January 2025

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DFT Study on the His-Tag Binding Affinity of Metal Ions in Modeled Hexacationic Metal Complexes.
Alparslan Numan Yildiz, E Esra Kasapbasi, Zeynep Yurtsever, Mine Yurtsever

ACS Omega· November 2024

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Voltammetric quantification, spectroscopic, and DFT studies on the binding of the antineoplastic drug Azacitidine with DNA.
Pelin Şenel, Soykan Agar, Mine Yurtsever, Ayşegül Gölcü

J Pharm Biomed Anal· January 2024

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Elucidation of DNA-Eltrombopag Binding: Electrochemical, Spectroscopic and Molecular Docking Techniques.
Somaye Cheraghi, Pelin Şenel, Burcu Dogan Topal, Soykan Agar, Mahsa Majidian, Mine Yurtsever

Biosensors (Basel)· February 2023

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Detection of Axitinib Using Multiwalled Carbon Nanotube-FeO/Chitosan Nanocomposite-Based Electrochemical Sensor and Modeling with Density Functional Theory.
Ahmet Cetinkaya, S Irem Kaya, Pelin Şenel, Nejla Cini, Esen B Atici, Mine Yurtsever

ACS Omega· September 2022

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Deciphering the mechanism and binding interactions of Pemetrexed with dsDNA with DNA-targeted chemotherapeutics via spectroscopic, analytical, and simulation studies.
Pelin Şenel, Soykan Agar, Yusuf Serhat İş, Filiz Altay, Ayşegül Gölcü, Mine Yurtsever

J Pharm Biomed Anal· February 2022

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Integrated Binary QSAR-Driven Virtual Screening and In Vitro Studies for Finding Novel hMAO-B-Selective Inhibitors.
Yusuf Serhat Is, Busecan Aksoydan, Murat Senturk, Mine Yurtsever, Serdar Durdagi

J Chem Inf Model· August 2020

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Proposing novel MDM2 inhibitors: Combined physics-driven high-throughput virtual screening and in vitro studies.
Gulsah Aydin, Maide Nur Paksoy, Müge Didem Orhan, Timucin Avsar, Mine Yurtsever

Chem Biol Drug Des· July 2020

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Elucidation of interaction mechanism of hERG1 potassium channel with scorpion toxins BeKm-1 and BmTx3b.
Beril Colak Gunay, Mine Yurtsever, Serdar Durdagi

J Mol Graph Model· May 2020

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Elucidation of binding interactions and mechanism of Fludarabine with dsDNA via multispectroscopic and molecular docking studies.
Pelin Şenel, Soykan Agar, V Oyku Sayin, Filiz Altay, Mine Yurtsever

J Pharm Biomed Anal· February 2020

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A QM protein-ligand investigation of antipsychotic drugs with the dopamine D2 Receptor (D2R).
Ramin Ekhteiari Salmas, Yusuf Serhat Is, Serdar Durdagi, Matthias Stein, Mine Yurtsever

J Biomol Struct Dyn· August 2018

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Proposing Novel MAO-B Hit Inhibitors Using Multidimensional Molecular Modeling Approaches and Application of Binary QSAR Models for Prediction of Their Therapeutic Activity, Pharmacokinetic and Toxicity Properties.
Yusuf Serhat Is, Serdar Durdagi, Busecan Aksoydan, Mine Yurtsever

ACS Chem Neurosci· July 2018

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Virtual screening of small molecules databases for discovery of novel PARP-1 inhibitors: combination of in silico and in vitro studies.
Ramin Ekhteiari Salmas, Ayhan Unlu, Muhammet Bektaş, Mine Yurtsever, Mert Mestanoglu

J Biomol Struct Dyn· July 2017

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The signaling pathway of dopamine D2 receptor (D2R) activation using normal mode analysis (NMA) and the construction of pharmacophore models for D2R ligands.
Ramin Ekhteiari Salmas, Matthias Stein, Mine Yurtsever, Philip Seeman, Ismail Erol

J Biomol Struct Dyn· July 2017

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Analysis of the Glutamate Agonist LY404,039 Binding to Nonstatic Dopamine Receptor D2 Dimer Structures and Consensus Docking.
Ramin Ekhteiari Salmas, Philip Seeman, Busecan Aksoydan, Ismail Erol, Isik Kantarcioglu, Mine Yurtsever

ACS Chem Neurosci· June 2017

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Adsorption of dihalogen molecules on pristine graphene surface: Monte Carlo and molecular dynamics simulation studies.
Berkay Sütay, Mine Yurtsever

J Mol Model· May 2017

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Biological Insights of the Dopaminergic Stabilizer ACR16 at the Binding Pocket of Dopamine D2 Receptor.
Ramin Ekhteiari Salmas, Philip Seeman, Busecan Aksoydan, Matthias Stein, Mine Yurtsever

ACS Chem Neurosci· April 2017

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Atomistic molecular dynamics simulations of typical and atypical antipsychotic drugs at the dopamine D2 receptor (D2R) elucidates their inhibition mechanism.
Ramin Ekhteiari Salmas, Mine Yurtsever, Serdar Durdagi

J Biomol Struct Dyn· March 2017

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Mutated form (G52E) of inactive diphtheria toxin CRM197: molecular simulations clearly display effect of the mutation to NAD binding.
Ramin Ekhteiari Salmas, Mert Mestanoglu, Ayhan Unlu, Mine Yurtsever, Serdar Durdagi

J Biomol Struct Dyn· November 2016

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In silico investigation of PARP-1 catalytic domains in holo and apo states for the design of high-affinity PARP-1 inhibitors.
Ramin Ekhteiari Salmas, Ayhan Unlu, Mine Yurtsever, Sergei Y Noskov, Serdar Durdagi

J Enzyme Inhib Med Chem· October 2016

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Binding Interactions of Dopamine and Apomorphine in D2High and D2Low States of Human Dopamine D2 Receptor Using Computational and Experimental Techniques.
Serdar Durdagi, Ramin Ekhteiari Salmas, Matthias Stein, Mine Yurtsever, Philip Seeman

ACS Chem Neurosci· February 2016

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Molecular Simulations of Solved Co-crystallized X-Ray Structures Identify Action Mechanisms of PDEδ Inhibitors.
Ramin Ekhteiari Salmas, Mert Mestanoglu, Mine Yurtsever, Sergei Y Noskov, Serdar Durdagi

Biophys J· September 2015

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Investigation of Inhibition Mechanism of Chemokine Receptor CCR5 by Micro-second Molecular Dynamics Simulations.
Ramin Ekhteiari Salmas, Mine Yurtsever, Serdar Durdagi

Sci Rep· August 2015

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