VARGIU, ATTILIO VITTORIO
VARGIU, ATTILIO VITTORIO
DIPARTIMENTO DI FISICA
Peptide Stereochemistry Effects from pKa-Shift to Gold Nanoparticle Templating in a Supramolecular Hydrogel
2024-01-01 Adorinni, Simone; Gentile, Serena; Bellotto, Ottavia; Kralj, Slavko; Parisi, Evelina; Cringoli, Maria C.; Deganutti, Caterina; Malloci, Giuliano; Piccirilli, Federica; Pengo, Paolo; Vaccari, Lisa; Geremia, Silvano; Vargiu, Attilio V.; De Zorzi, Rita; Marchesan, Silvia
Functionally distinct mutations within AcrB underpin antibiotic resistance in different lifestyles
2023-01-01 Trampari, Eleftheria; Prischi, Filippo; Vargiu, Attilio V.; Abi-Assaf, Justin; Bavro, Vassiliy N.; Webber, Mark A.
Molecular determinants of avoidance and inhibition of Pseudomonas aeruginosa MexB efflux pump
2023-01-01 Gervasoni, Silvia; Mehla, Jitender; Bergen, Charles R; Leus, Inga V; Margiotta, Enrico; Malloci, Giuliano; Bosin, Andrea; Vargiu, Attilio V; Lomovskaya, Olga; Rybenkov, Valentin V; Ruggerone, Paolo; Zgurskaya, Helen I
Tripartite efflux pumps of the RND superfamily: what did we learn from computational studies?
2023-01-01 Athar, Mohd; Gervasoni, Silvia; Catte, Andrea; Basciu, Andrea; Malloci, Giuliano; Ruggerone, Paolo; Vargiu, Attilio Vittorio
A framework for dissecting affinities of multidrug efflux transporter AcrB to fluoroquinolones
2022-01-01 Vergalli, J.; Chauvet, H.; Oliva, F.; Pajovic, J.; Malloci, G.; Vargiu, A. V.; Refregiers, M.; Ruggerone, P.; Pages, J. -M.
AB-DB: Force-Field parameters, MD trajectories, QM-based data, and Descriptors of Antimicrobials
2022-01-01 Gervasoni, S.; Malloci, G.; Bosin, A.; Vargiu, A. V.; Zgurskaya, H. I.; Ruggerone, P.
Common recognition topology of mex transporters of Pseudomonas aeruginosa revealed by molecular modelling
2022-01-01 Catte, Andrea; K. Ramaswamy, Venkata; Vargiu, Attilio Vittorio; Malloci, Giuliano; Bosin, Andrea; Ruggerone, Paolo
Molecular Insights Into Binding and Activation of the Human KCNQ2 Channel by Retigabine
2022-01-01 Garofalo, Barbara; Bonvin, Alexandre M. J. J.; Bosin, Andrea; Di Giorgio, Francesco P.; Ombrato, Rosella; Vargiu, Attilio V.
Molecular rationale for the impairment of the MexAB-OprM efflux pump by a single mutation in MexA
2022-01-01 Cacciotto, P.; Basciu, A.; Oliva, F.; Malloci, G.; Zacharias, M.; Ruggerone, P.; Vargiu, A. V.
No dance, no partner! A tale of receptor flexibility in docking and virtual screening
2022-01-01 Basciu, A.; Callea, L.; Motta, S.; Bonvin, A. M. J. J.; Bonati, L.; Vargiu, A. V.
Pyridylpiperazine-based allosteric inhibitors of RND-type multidrug efflux pumps
2022-01-01 Ple, C.; Tam, H. -K.; Vieira Da Cruz, A.; Compagne, N.; Jimenez-Castellanos, J. -C.; Muller, R. T.; Pradel, E.; Foong, W. E.; Malloci, G.; Ballee, A.; Kirchner, M. A.; Moshfegh, P.; Herledan, A.; Herrmann, A.; Deprez, B.; Willand, N.; Vargiu, A. V.; Pos, K. M.; Flipo, M.; Hartkoorn, R. C.
Recognition of quinolone antibiotics by the multidrug efflux transporter MexB of Pseudomonas aeruginosa
2022-01-01 Gervasoni, Silvia; Malloci, Giuliano; Bosin, Andrea; Vargiu, Attilio V; Zgurskaya, Helen I; Ruggerone, Paolo
Single-atom substitution enables supramolecular diversity from dipeptide building blocks
2022-01-01 Scarel, Erica; Bellotto, Ottavia; Rozhin, Petr; Kralj, Slavko; Tortora, Mariagrazia; Vargiu, Attilio V; De Zorzi, Rita; Rossi, Barbara; Marchesan, Silvia
The Structural and Functional Study of Efflux Pumps Belonging to the RND Transporters Family from Gram-Negative Bacteria
2022-01-01 Vargiu, Attilio Vittorio; Phan, Gilles; Venter, Henrietta; Broutin, Isabelle
Bacterial efflux transporters’ polyspecificity – a gift and a curse?
2021-01-01 Zgurskaya, Helen I.; Malloci, Giuliano; Chandar, Brinda; Vargiu, ATTILIO VITTORIO; Ruggerone, Paolo
Mechanistic Duality of Bacterial Efflux Substrates and Inhibitors: Example of Simple Substituted Cinnamoyl and Naphthyl Amides
2021-01-01 D'Cunha, N.; Moniruzzaman, M.; Haynes, K.; Malloci, G.; Cooper, C. J.; Margiotta, E.; Vargiu, A. V.; Uddin, M. R.; Leus, I. V.; Cao, F.; Parks, J. M.; Rybenkov, V. V.; Ruggerone, P.; Zgurskaya, H. I.; Walker, J. K.
Molecular insights into the Patched1 drug efflux inhibitory activity of panicein A hydroquinone: a computational study
2021-01-01 Kovachka, S.; Malloci, G.; Vargiu, A. V.; Azoulay, S.; Mus-Veteau, I.; Ruggerone, P.
Nanoscale Assembly of Functional Peptides with Divergent Programming Elements
2021-01-01 Garcia, A. M.; Melchionna, M.; Bellotto, O.; Kralj, S.; Semeraro, S.; Parisi, E.; Iglesias, D.; D'Andrea, P.; De Zorzi, R.; Vargiu, A. V.; Marchesan, S.
Native or Non-Native Protein-Protein Docking Models? Molecular Dynamics to the Rescue
2021-01-01 Jandova, Z.; Vargiu, A. V.; Bonvin, A. M. J.
Predictive rules of efflux inhibition and avoidance in Pseudomonas aeruginosa
2021-01-01 Mehla, Jitender; Malloci, Giuliano; Mansbach, Rachael; López, Cesar A.; Tsivkovski, Ruslan; Haynes, Keith; Leus, Inga V.; Grindstaff, Sally B.; Cascella, Robert H.; D’Cunha, Napoleon; Herndon, Liam; Hengartner, Nicolas W.; Margiotta, Enrico; Atzori, Alessio; Vargiu, Attilio V.; Manrique, Pedro D.; Walker, John K.; Lomovskaya, Olga; Ruggerone, Paolo; Gnanakaran, S.; Rybenkov, Valentin V.; Zgurskaya, Helen I.
Titolo | Data di pubblicazione | Autore(i) | Rivista | Editore |
---|---|---|---|---|
Peptide Stereochemistry Effects from pKa-Shift to Gold Nanoparticle Templating in a Supramolecular Hydrogel | 1-gen-2024 | Adorinni, Simone; Gentile, Serena; Bellotto, Ottavia; Kralj, Slavko; Parisi, Evelina; Cringoli, Maria C.; Deganutti, Caterina; Malloci, Giuliano; Piccirilli, Federica; Pengo, Paolo; Vaccari, Lisa; Geremia, Silvano; Vargiu, Attilio V.; De Zorzi, Rita; Marchesan, Silvia | ACS NANO | - |
Functionally distinct mutations within AcrB underpin antibiotic resistance in different lifestyles | 1-gen-2023 | Trampari, Eleftheria; Prischi, Filippo; Vargiu, Attilio V.; Abi-Assaf, Justin; Bavro, Vassiliy N.; Webber, Mark A. | NPJ ANTIMICROBIALS AND RESISTANCE | - |
Molecular determinants of avoidance and inhibition of Pseudomonas aeruginosa MexB efflux pump | 1-gen-2023 | Gervasoni, Silvia; Mehla, Jitender; Bergen, Charles R; Leus, Inga V; Margiotta, Enrico; Malloci, Giuliano; Bosin, Andrea; Vargiu, Attilio V; Lomovskaya, Olga; Rybenkov, Valentin V; Ruggerone, Paolo; Zgurskaya, Helen I | MBIO | - |
Tripartite efflux pumps of the RND superfamily: what did we learn from computational studies? | 1-gen-2023 | Athar, Mohd; Gervasoni, Silvia; Catte, Andrea; Basciu, Andrea; Malloci, Giuliano; Ruggerone, Paolo; Vargiu, Attilio Vittorio | MICROBIOLOGY | - |
A framework for dissecting affinities of multidrug efflux transporter AcrB to fluoroquinolones | 1-gen-2022 | Vergalli, J.; Chauvet, H.; Oliva, F.; Pajovic, J.; Malloci, G.; Vargiu, A. V.; Refregiers, M.; Ruggerone, P.; Pages, J. -M. | COMMUNICATIONS BIOLOGY | - |
AB-DB: Force-Field parameters, MD trajectories, QM-based data, and Descriptors of Antimicrobials | 1-gen-2022 | Gervasoni, S.; Malloci, G.; Bosin, A.; Vargiu, A. V.; Zgurskaya, H. I.; Ruggerone, P. | SCIENTIFIC DATA | - |
Common recognition topology of mex transporters of Pseudomonas aeruginosa revealed by molecular modelling | 1-gen-2022 | Catte, Andrea; K. Ramaswamy, Venkata; Vargiu, Attilio Vittorio; Malloci, Giuliano; Bosin, Andrea; Ruggerone, Paolo | FRONTIERS IN PHARMACOLOGY | - |
Molecular Insights Into Binding and Activation of the Human KCNQ2 Channel by Retigabine | 1-gen-2022 | Garofalo, Barbara; Bonvin, Alexandre M. J. J.; Bosin, Andrea; Di Giorgio, Francesco P.; Ombrato, Rosella; Vargiu, Attilio V. | FRONTIERS IN MOLECULAR BIOSCIENCES | - |
Molecular rationale for the impairment of the MexAB-OprM efflux pump by a single mutation in MexA | 1-gen-2022 | Cacciotto, P.; Basciu, A.; Oliva, F.; Malloci, G.; Zacharias, M.; Ruggerone, P.; Vargiu, A. V. | COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL | - |
No dance, no partner! A tale of receptor flexibility in docking and virtual screening | 1-gen-2022 | Basciu, A.; Callea, L.; Motta, S.; Bonvin, A. M. J. J.; Bonati, L.; Vargiu, A. V. | ANNUAL REPORTS IN MEDICINAL CHEMISTRY | Academic Press |
Pyridylpiperazine-based allosteric inhibitors of RND-type multidrug efflux pumps | 1-gen-2022 | Ple, C.; Tam, H. -K.; Vieira Da Cruz, A.; Compagne, N.; Jimenez-Castellanos, J. -C.; Muller, R. T.; Pradel, E.; Foong, W. E.; Malloci, G.; Ballee, A.; Kirchner, M. A.; Moshfegh, P.; Herledan, A.; Herrmann, A.; Deprez, B.; Willand, N.; Vargiu, A. V.; Pos, K. M.; Flipo, M.; Hartkoorn, R. C. | NATURE COMMUNICATIONS | - |
Recognition of quinolone antibiotics by the multidrug efflux transporter MexB of Pseudomonas aeruginosa | 1-gen-2022 | Gervasoni, Silvia; Malloci, Giuliano; Bosin, Andrea; Vargiu, Attilio V; Zgurskaya, Helen I; Ruggerone, Paolo | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | - |
Single-atom substitution enables supramolecular diversity from dipeptide building blocks | 1-gen-2022 | Scarel, Erica; Bellotto, Ottavia; Rozhin, Petr; Kralj, Slavko; Tortora, Mariagrazia; Vargiu, Attilio V; De Zorzi, Rita; Rossi, Barbara; Marchesan, Silvia | SOFT MATTER | - |
The Structural and Functional Study of Efflux Pumps Belonging to the RND Transporters Family from Gram-Negative Bacteria | 1-gen-2022 | Vargiu, Attilio Vittorio; Phan, Gilles; Venter, Henrietta; Broutin, Isabelle | ANTIBIOTICS | - |
Bacterial efflux transporters’ polyspecificity – a gift and a curse? | 1-gen-2021 | Zgurskaya, Helen I.; Malloci, Giuliano; Chandar, Brinda; Vargiu, ATTILIO VITTORIO; Ruggerone, Paolo | CURRENT OPINION IN MICROBIOLOGY | - |
Mechanistic Duality of Bacterial Efflux Substrates and Inhibitors: Example of Simple Substituted Cinnamoyl and Naphthyl Amides | 1-gen-2021 | D'Cunha, N.; Moniruzzaman, M.; Haynes, K.; Malloci, G.; Cooper, C. J.; Margiotta, E.; Vargiu, A. V.; Uddin, M. R.; Leus, I. V.; Cao, F.; Parks, J. M.; Rybenkov, V. V.; Ruggerone, P.; Zgurskaya, H. I.; Walker, J. K. | ACS INFECTIOUS DISEASES | - |
Molecular insights into the Patched1 drug efflux inhibitory activity of panicein A hydroquinone: a computational study | 1-gen-2021 | Kovachka, S.; Malloci, G.; Vargiu, A. V.; Azoulay, S.; Mus-Veteau, I.; Ruggerone, P. | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | - |
Nanoscale Assembly of Functional Peptides with Divergent Programming Elements | 1-gen-2021 | Garcia, A. M.; Melchionna, M.; Bellotto, O.; Kralj, S.; Semeraro, S.; Parisi, E.; Iglesias, D.; D'Andrea, P.; De Zorzi, R.; Vargiu, A. V.; Marchesan, S. | ACS NANO | - |
Native or Non-Native Protein-Protein Docking Models? Molecular Dynamics to the Rescue | 1-gen-2021 | Jandova, Z.; Vargiu, A. V.; Bonvin, A. M. J. | JOURNAL OF CHEMICAL THEORY AND COMPUTATION | - |
Predictive rules of efflux inhibition and avoidance in Pseudomonas aeruginosa | 1-gen-2021 | Mehla, Jitender; Malloci, Giuliano; Mansbach, Rachael; López, Cesar A.; Tsivkovski, Ruslan; Haynes, Keith; Leus, Inga V.; Grindstaff, Sally B.; Cascella, Robert H.; D’Cunha, Napoleon; Herndon, Liam; Hengartner, Nicolas W.; Margiotta, Enrico; Atzori, Alessio; Vargiu, Attilio V.; Manrique, Pedro D.; Walker, John K.; Lomovskaya, Olga; Ruggerone, Paolo; Gnanakaran, S.; Rybenkov, Valentin V.; Zgurskaya, Helen I. | MBIO | - |