A mixed-valence diruthenium(ii,iii) complex endowed with high stability: from experimental evidence to theoretical interpretation
2020-01-01 Barresi, Elisabetta; Tolbatov, Iogann; Pratesi, Alessandro; Notarstefano, Valentina; Baglini, Emma; Daniele, Simona; Taliani, Sabrina; Re, Nazzareno; Giorgini, Elisabetta; Martini, Claudia; Da Settimo, Federico; Marzo, Tiziano; La Mendola, Diego
Insight into the Substitution Mechanism of Antitumor Au(I) N-Heterocyclic Carbene Complexes by Cysteine and Selenocysteine
2020-01-01 Tolbatov, Iogann; Coletti, Cecilia; Marrone, Alessandro; Re, Nazzareno
Reactions of cisplatin and cis-[PtI2(NH3)2] with molecular models of relevant protein sidechains: A comparative analysis
2020-01-01 Tolbatov, I.; Marzo, T.; Cirri, D.; Gabbiani, C.; Coletti, C.; Marrone, A.; Paciotti, R.; Messori, L.; Re, N.
Mechanistic Insights Into the Anticancer Properties of the Auranofin Analog Au(PEt3)I: A Theoretical and Experimental Study
2020-01-01 Tolbatov, Iogann; Cirri, Damiano; Marchetti, Lorella; Marrone, Alessandro; Coletti, Cecilia; Re, Nazzareno; La Mendola, Diego; Messori, Luigi; Marzo, Tiziano; Gabbiani, Chiara; Pratesi, Alessandro
Reactivity of arsenoplatin complex versus water and thiocyanate: a DFT benchmark study
2020-01-01 Tolbatov, Iogann; Coletti, Cecilia; Marrone, Alessandro; Re, Nazzareno
Two mixed valence diruthenium(ii,iii) isomeric complexes show different anticancer properties
2021-01-01 Barresi, E.; Tolbatov, I.; Marzo, T.; Zappelli, E.; Marrone, A.; Re, N.; Pratesi, A.; Martini, C.; Taliani, S.; Da Settimo, F.; La Mendola, D.
Molecular dynamics simulation of the Pb(II) coordination in biological media via cationic dummy atom models
2021-01-01 Tolbatov, I; Marrone, Alessandro
Probing the Paradigm of Promiscuity for N‐Heterocyclic Carbene Complexes and their Protein Adduct Formation
2021-01-01 Sullivan, Matthew P.; Cziferszky, Monika; Tolbatov, Iogann; Truong, Dianna; Mercadante, Davide; Re, Nazzareno; Gust, Ronald; Goldstone, David C.; Hartinger, Christian G.
Reactivity of antitumor coinage metal-based N-heterocyclic carbene complexes with cysteine and selenocysteine protein sites
2021-01-01 Tolbatov, I.; Marzo, T.; Coletti, C.; La Mendola, D.; Storchi, L.; Re, N.; Marrone, A.
In Vitro Anti-SARS-CoV-2 Activity of Selected Metal Compounds and Potential Molecular Basis for Their Actions Based on Computational Study
2021-01-01 Cirri, Damiano; Marzo, Tiziano; Tolbatov, Iogann; Marrone, Alessandro; Saladini, Francesco; Vicenti, Ilaria; Dragoni, Filippo; Boccuto, Adele; Messori, Luigi
Reactivity of N-Heterocyclic Carbene Half-Sandwich Ru-, Os-, Rh-, and Ir-Based Complexes with Cysteine and Selenocysteine: A Computational Study
2021-01-01 Tolbatov, Iogann; Marrone, Alessandro
Computational Studies of Au(I) and Au(III) Anticancer MetalLodrugs: A Survey
2021-01-01 Tolbatov, Iogann; Marrone, Alessandro; Coletti, Cecilia; Re, Nazzareno
Reaction of dirhodium and diruthenium paddlewheel tetraacetate complexes with nucleophilic protein sites: A computational study
2022-01-01 Tolbatov, Iogann; Marrone, Alessandro
Computational strategies to model the interaction and the reactivity of biologically-relevant transition metal complexes
2022-01-01 Tolbatov, Iogann; Marrone, Alessandro
Reactions of Arsenoplatin-1 with Protein Targets: A Combined Experimental and Theoretical Study
2022-01-01 Tolbatov, Iogann; Cirri, Damiano; Tarchi, Matteo; Marzo, Tiziano; Coletti, Cecilia; Marrone, Alessandro; Messori, Luigi; Re, Nazzareno; Massai, Lara
Anti-Staphylococcal Activity of the Auranofin Analogue Bearing Acetylcysteine in Place of the Thiosugar: An Experimental and Theoretical Investigation
2022-01-01 Chiaverini, Lorenzo; Pratesi, Alessandro; Cirri, Damiano; Nardinocchi, Arianna; Tolbatov, I; Marrone, Alessandro; Di Luca, Mariagrazia; Marzo, Tiziano; La Mendola, Diego
Selenocysteine of thioredoxin reductase as the primary target for the antitumor metallodrugs: A computational point of view
2022-01-01 Tolbatov, Iogann; Marrone, Alessandro
Parallel arrangement of peptides appended to a rigid, bimetallic, constrained ring system
2022-01-01 Curran, Timothy P.; Marrone, Alessandro; Davidson, Lauren M.; Pokharel, Niranjana; Frempong, Josephine F.; Tolbatov, Iogann; Phillip, Michael L.; Gober, Cosmic B.; Yang, Haoyu; Stewart, Joanne
Medicinal Hypervalent Tellurium Prodrugs Bearing Different Ligands: A Comparative Study of the Chemical Profiles of AS101 and Its Halido Replaced Analogues
2022-01-01 Chiaverini, Lorenzo; Cirri, Damiano; Tolbatov, Iogann; Corsi, Francesca; Piano, Ilaria; Marrone, Alessandro; Pratesi, Alessandro; Marzo, Tiziano; La Mendola, Diego
Structural Reshaping of the Zinc-Finger Domain of the SARS-CoV-2 nsp13 Protein Using Bismuth(III) Ions: A Multilevel Computational Study
2022-01-01 Tolbatov, Iogann; Storchi, Loriano; Marrone, Alessandro
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| A mixed-valence diruthenium(ii,iii) complex endowed with high stability: from experimental evidence to theoretical interpretation | 1-gen-2020 | Barresi, Elisabetta; Tolbatov, Iogann; Pratesi, Alessandro; Notarstefano, Valentina; Baglini, Emma; Daniele, Simona; Taliani, Sabrina; Re, Nazzareno; Giorgini, Elisabetta; Martini, Claudia; Da Settimo, Federico; Marzo, Tiziano; La Mendola, Diego | |
| Insight into the Substitution Mechanism of Antitumor Au(I) N-Heterocyclic Carbene Complexes by Cysteine and Selenocysteine | 1-gen-2020 | Tolbatov, Iogann; Coletti, Cecilia; Marrone, Alessandro; Re, Nazzareno | |
| Reactions of cisplatin and cis-[PtI2(NH3)2] with molecular models of relevant protein sidechains: A comparative analysis | 1-gen-2020 | Tolbatov, I.; Marzo, T.; Cirri, D.; Gabbiani, C.; Coletti, C.; Marrone, A.; Paciotti, R.; Messori, L.; Re, N. | |
| Mechanistic Insights Into the Anticancer Properties of the Auranofin Analog Au(PEt3)I: A Theoretical and Experimental Study | 1-gen-2020 | Tolbatov, Iogann; Cirri, Damiano; Marchetti, Lorella; Marrone, Alessandro; Coletti, Cecilia; Re, Nazzareno; La Mendola, Diego; Messori, Luigi; Marzo, Tiziano; Gabbiani, Chiara; Pratesi, Alessandro | |
| Reactivity of arsenoplatin complex versus water and thiocyanate: a DFT benchmark study | 1-gen-2020 | Tolbatov, Iogann; Coletti, Cecilia; Marrone, Alessandro; Re, Nazzareno | |
| Two mixed valence diruthenium(ii,iii) isomeric complexes show different anticancer properties | 1-gen-2021 | Barresi, E.; Tolbatov, I.; Marzo, T.; Zappelli, E.; Marrone, A.; Re, N.; Pratesi, A.; Martini, C.; Taliani, S.; Da Settimo, F.; La Mendola, D. | |
| Molecular dynamics simulation of the Pb(II) coordination in biological media via cationic dummy atom models | 1-gen-2021 | Tolbatov, I; Marrone, Alessandro | |
| Probing the Paradigm of Promiscuity for N‐Heterocyclic Carbene Complexes and their Protein Adduct Formation | 1-gen-2021 | Sullivan, Matthew P.; Cziferszky, Monika; Tolbatov, Iogann; Truong, Dianna; Mercadante, Davide; Re, Nazzareno; Gust, Ronald; Goldstone, David C.; Hartinger, Christian G. | |
| Reactivity of antitumor coinage metal-based N-heterocyclic carbene complexes with cysteine and selenocysteine protein sites | 1-gen-2021 | Tolbatov, I.; Marzo, T.; Coletti, C.; La Mendola, D.; Storchi, L.; Re, N.; Marrone, A. | |
| In Vitro Anti-SARS-CoV-2 Activity of Selected Metal Compounds and Potential Molecular Basis for Their Actions Based on Computational Study | 1-gen-2021 | Cirri, Damiano; Marzo, Tiziano; Tolbatov, Iogann; Marrone, Alessandro; Saladini, Francesco; Vicenti, Ilaria; Dragoni, Filippo; Boccuto, Adele; Messori, Luigi | |
| Reactivity of N-Heterocyclic Carbene Half-Sandwich Ru-, Os-, Rh-, and Ir-Based Complexes with Cysteine and Selenocysteine: A Computational Study | 1-gen-2021 | Tolbatov, Iogann; Marrone, Alessandro | |
| Computational Studies of Au(I) and Au(III) Anticancer MetalLodrugs: A Survey | 1-gen-2021 | Tolbatov, Iogann; Marrone, Alessandro; Coletti, Cecilia; Re, Nazzareno | |
| Reaction of dirhodium and diruthenium paddlewheel tetraacetate complexes with nucleophilic protein sites: A computational study | 1-gen-2022 | Tolbatov, Iogann; Marrone, Alessandro | |
| Computational strategies to model the interaction and the reactivity of biologically-relevant transition metal complexes | 1-gen-2022 | Tolbatov, Iogann; Marrone, Alessandro | |
| Reactions of Arsenoplatin-1 with Protein Targets: A Combined Experimental and Theoretical Study | 1-gen-2022 | Tolbatov, Iogann; Cirri, Damiano; Tarchi, Matteo; Marzo, Tiziano; Coletti, Cecilia; Marrone, Alessandro; Messori, Luigi; Re, Nazzareno; Massai, Lara | |
| Anti-Staphylococcal Activity of the Auranofin Analogue Bearing Acetylcysteine in Place of the Thiosugar: An Experimental and Theoretical Investigation | 1-gen-2022 | Chiaverini, Lorenzo; Pratesi, Alessandro; Cirri, Damiano; Nardinocchi, Arianna; Tolbatov, I; Marrone, Alessandro; Di Luca, Mariagrazia; Marzo, Tiziano; La Mendola, Diego | |
| Selenocysteine of thioredoxin reductase as the primary target for the antitumor metallodrugs: A computational point of view | 1-gen-2022 | Tolbatov, Iogann; Marrone, Alessandro | |
| Parallel arrangement of peptides appended to a rigid, bimetallic, constrained ring system | 1-gen-2022 | Curran, Timothy P.; Marrone, Alessandro; Davidson, Lauren M.; Pokharel, Niranjana; Frempong, Josephine F.; Tolbatov, Iogann; Phillip, Michael L.; Gober, Cosmic B.; Yang, Haoyu; Stewart, Joanne | |
| Medicinal Hypervalent Tellurium Prodrugs Bearing Different Ligands: A Comparative Study of the Chemical Profiles of AS101 and Its Halido Replaced Analogues | 1-gen-2022 | Chiaverini, Lorenzo; Cirri, Damiano; Tolbatov, Iogann; Corsi, Francesca; Piano, Ilaria; Marrone, Alessandro; Pratesi, Alessandro; Marzo, Tiziano; La Mendola, Diego | |
| Structural Reshaping of the Zinc-Finger Domain of the SARS-CoV-2 nsp13 Protein Using Bismuth(III) Ions: A Multilevel Computational Study | 1-gen-2022 | Tolbatov, Iogann; Storchi, Loriano; Marrone, Alessandro |
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