TRISCIUZZI, DANIELA
TRISCIUZZI, DANIELA
DIPARTIMENTO DI FARMACIA-SCIENZE DEL FARMACO
A New Approach for Drug Target and Bioactivity Prediction: The Multifingerprint Similarity Search Algorithm (MuSSeL)
2019-01-01 Alberga, Domenico; Trisciuzzi, Daniela; Montaruli, Michele; Leonetti, Francesco; Mangiatordi, Giuseppe Felice; Nicolotti, Orazio
A rational approach to elucidate human monoamine oxidase molecular selectivity
2017-01-01 Mangiatordi, Giuseppe Felice; Alberga, Domenico; Pisani, Leonardo; Gadaleta, Domenico; Trisciuzzi, Daniela; Farina, Roberta; Carotti, A; Lattanzi, G; Catto, Marco; Nicolotti, Orazio
Accelerating drug discovery by early protein drug target prediction based on a multi-fingerprint similarity search †
2019-01-01 Montaruli, M.; Alberga, D.; Ciriaco, F.; Trisciuzzi, D.; Tondo, A. R.; Mangiatordi, G. F.; Nicolotti, O.
An Integrated Machine Learning Model to Spot Peptide Binding Pockets in 3D Protein Screening
2022-01-01 Trisciuzzi, Daniela; Siragusa, Lydia; Baroni, Massimo; Cruciani, Gabriele; Nicolotti, Orazio
Analysis of solvent-exposed and buried co-crystallized ligands: a case study to support the design of novel protein–protein interaction inhibitors
2019-01-01 Trisciuzzi, Daniela; Nicolotti, Orazio; Miteva, Maria A.; Villoutreix, Bruno O.
Automated identification of structurally heterogeneous and patentable antiproliferative hits as potential tubulin inhibitors
2018-01-01 Mangiatordi, G. F.; Trisciuzzi, D.; Iacobazzi, R.; Denora, N.; Pisani, L.; Catto, M.; Leonetti, F.; Alberga, D.; Nicolotti, O.
Bcr-Abl Allosteric Inhibitors: Where We Are and Where We Are Going to
2020-01-01 Carofiglio, F.; Trisciuzzi, D.; Gambacorta, N.; Leonetti, F.; Stefanachi, A.; Nicolotti, O.
CATMoS: Collaborative Acute Toxicity Modeling Suite
2021-01-01 Mansouri, K; Karmaus, Al; Fitzpatrick, J; Patlewicz, G; Pradeep, P; Alberga, D; Alepee, N; Allen, Teh; Allen, D; Alves, Vm; Andrade, Ch; Auernhammer, Tr; Ballabio, D; Bell, S; Benfenati, E; Bhattacharya, S; Bastos, Jv; Boyd, S; Brown, Jb; Capuzzi, Sj; Chushak, Y; Ciallella, H; Clark, Am; Consonni, V; Daga, Pr; Ekins, S; Farag, S; Fedorov, M; Fourches, D; Gadaleta, D; Gao, F; Gearhart, Jm; Goh, G; Goodman, Jm; Grisoni, F; Grulke, Cm; Hartung, T; Hirn, M; Karpov, P; Korotcov, A; Lavado, Gj; Lawless, M; Li, Xh; Luechtefeld, T; Lunghini, F; Mangiatordi, Gf; Marcou, G; Marsh, D; Martin, T; Mauri, A; Muratov, En; Myatt, Gj; Nguyen, Dt; Nicolotti, O; Note, R; Pande, P; Parks, Ak; Peryea, T; Polash, Ah; Rallo, R; Roncaglioni, A; Rowlands, C; Ruiz, P; Russo, Dp; Sayed, A; Sayre, R; Sheils, T; Siegel, C; Silva, Ac; Simeonov, A; Sosnin, S; Southall, N; Strickland, J; Tang, Y; Teppen, B; Tetko, Iv; Thomas, D; Tkachenko, V; Todeschini, R; Toma, C; Tripodi, I; Trisciuzzi, D; Tropsha, A; Varnek, A; Vukovic, K; Wang, Zy; Wang, Lg; Waters, Km; Wedlake, Aj; Wijeyesakere, Sj; Wilson, D; Xiao, Zj; Yang, Hb; Zahoranszky-Kohalmi, G; Zakharov, Av; Zhang, Ff; Zhang, Z; Zhao, Tg; Zhu, H; Zorn, Km; Casey, W; Kleinstreuer, Nc
CERAPP: Collaborative estrogen receptor activity prediction project
2016-01-01 Mansouri, Kamel; Abdelaziz, Ahmed; Rybacka, Aleksandra; Roncaglioni, Alessandra; Tropsha, Alexander; Varnek, Alexandre; Zakharov, Alexey; Worth, Andrew; Richard, Ann M.; Grulke, Christopher M.; Trisciuzzi, Daniela; Fourches, Denis; Horvath, Dragos; Benfenati, Emilio; Muratov, Eugene; Wedebye, Eva Bay; Grisoni, Francesca; Mangiatordi, Giuseppe Felice; Incisivo, Giuseppina M.; Hong, Huixiao; Ng, Hui W.; Tetko, Igor V.; Balabin, Ilya; Kancherla, Jayaram; Shen, Jie; Burton, Julien; Nicklaus, Marc; Cassotti, Matteo; Nikolov, Nikolai G.; Nicolotti, Orazio; Andersson, Patrik L.; Zang, Qingda; Politi, Regina; Beger, Richard D.; Todeschini, Roberto; Huang, Ruili; Farag, Sherif; Rosenberg, Sine A.; Slavov, Svetoslav; Hu, Xin; Judson, Richard S.
Chalcones with N-Methylpiperazine Moiety: Synthesis, Monoamine Oxidase Inhibition, Neuroprotective Effect and Computer Simulation Study
2024-01-01 Jayan, Jayalakshmi; Trisciuzzi, Daniela; Benny, Feba; Kumar, Sunil; Gambacorta, Nicola; Catto, Marco; Abdelgawad, Mohamed A.; Ghoneim, Mohammed M.; Hamed Al-Serwi, Rasha; Gahtori, Prashant; Mary Zachariah, Subin; Nicolotti, Orazio; Bijo Mathew, And
Compara: Collaborative modeling project for androgen receptor activity
2020-01-01 Mansouri, K.; Kleinstreuer, N.; Abdelaziz, A. M.; Alberga, D.; Alves, V. M.; Andersson, P. L.; Andrade, C. H.; Bai, F.; Balabin, I.; Ballabio, D.; Benfenati, E.; Bhhatarai, B.; Boyer, S.; Chen, J.; Consonni, V.; Farag, S.; Fourches, D.; Garcia-Sosa, A. T.; Gramatica, P.; Grisoni, F.; Grulke, C. M.; Hong, H.; Horvath, D.; Hu, X.; Huang, R.; Jeliazkova, N.; Li, J.; Li, X.; Liu, H.; Manganelli, S.; Mangiatordi, G. F.; Maran, U.; Marcou, G.; Martin, T.; Muratov, E.; Nguyen, D. -T.; Nicolotti, O.; Nikolov, N. G.; Norinder, U.; Papa, E.; Petitjean, M.; Piir, G.; Pogodin, P.; Poroikov, V.; Qiao, X.; Richard, A. M.; Roncaglioni, A.; Ruiz, P.; Rupakheti, C.; Sakkiah, S.; Sangion, A.; Schramm, K. -W.; Selvaraj, C.; Shah, I.; Sild, S.; Sun, L.; Taboureau, O.; Tang, Y.; Tetko, I. V.; Todeschini, R.; Tong, W.; Trisciuzzi, D.; Tropsha, A.; Van Den Driessche, G.; Varnek, A.; Wang, Z.; Wedebye, E. B.; Williams, A. J.; Xie, H.; Zakharov, A. V.; Zheng, Z.; Judson, R. S.
Comparative Molecular Dynamics Study of Neuromyelitis Optica-Immunoglobulin G Binding to Aquaporin-4 Extracellular Domains
2017-01-01 Alberga, Domenico; Trisciuzzi, Daniela; Lattanzi, Gianluca; Bennett, Jeffrey; Verkman, Alan; Mangiatordi, Giuseppe; Nicolotti, Orazio
De Novo Drug Design of Targeted Chemical Libraries Based on Artificial Intelligence and Pair-Based Multiobjective Optimization
2020-01-01 Alberga, Domenico; Gambacorta, Nicola; Trisciuzzi, Daniela; Ciriaco, Fulvio; Amoroso, Nicola; Nicolotti, Orazio
Design, Synthesis, and Biological Evaluation of Tetrahydro-β-carboline Derivatives as Selective Sub-Nanomolar Gelatinase Inhibitors
2018-01-01 Mangiatordi, Giuseppe Felice; Guzzo, Tatiana; Rossano, Eugenio Claudio; Trisciuzzi, Daniela; Alberga, Domenico; Fasciglione, Giovanni; Coletta, Massimiliano; Topai, Alessandra; Nicolotti, Orazio
Docking-based classification models for exploratory toxicology studies on high-quality estrogenic experimental data
2015-01-01 Trisciuzzi, Daniela; Alberga, Domenico; Mansouri, K; Judson, R; Cellamare, Saverio; Catto, Marco; Carotti, Angelo; Benfenati, E; Novellino, E; Mangiatordi, Giuseppe Felice; Nicolotti, Orazio
Exploration of a new class of monoamine oxidase B inhibitors by assembling benzyloxy pharmacophore on halogenated chalcones
2023-01-01 Singh, Ak; Kim, Sm; Oh, Jm; Abdelgawad, Ma; Ghoneim, Mm; Rangarajan, Tm; Kumar, S; Sudevan, St; Trisciuzzi, D; Nicolotti, O; Kim, H; Mathew, B
Getting Insights into Structural and Energetic Properties of Reciprocal Peptide–Protein Interactions
2022-01-01 Trisciuzzi, Daniela; Siragusa, Lydia; Baroni, Massimo; Autiero, Ida; Nicolotti, Orazio; Cruciani, Gabriele
Growth hormone secretagogues modulate inflammation and fibrosis in mdx mouse model of Duchenne muscular dystrophy
2023-01-01 Boccanegra, B.; Cappellari, O.; Mantuano, P.; Trisciuzzi, D.; Mele, A.; Tulimiero, L.; De Bellis, M.; Cirmi, S.; Sanarica, F.; Cerchiara, A. G.; Conte, E.; Meanti, R.; Rizzi, L.; Bresciani, E.; Denoyelle, S.; Fehrentz, J. -A.; Cruciani, G.; Nicolotti, O.; Liantonio, A.; Torsello, A.; De Luca, A.
Human aquaporin-4 and molecular modeling: Historical perspective and view to the future
2016-01-01 Mangiatordi, Giuseppe Felice; Alberga, Domenico; Trisciuzzi, Daniela; Lattanzi, Gianluca; Nicolotti, Orazio
Inhibition of Cholinesterases by Benzothiazolone Derivatives
2022-01-01 Alagoz, Ma; Kim, Sm; Oh, Jm; Arslan, G; Ozdemir, Z; Sari, S; Ozcelik, Ab; Onkol, T; Trisciuzzi, D; Nicolotti, O; Kim, H; Mathew, B
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| A New Approach for Drug Target and Bioactivity Prediction: The Multifingerprint Similarity Search Algorithm (MuSSeL) | 1-gen-2019 | Alberga, Domenico; Trisciuzzi, Daniela; Montaruli, Michele; Leonetti, Francesco; Mangiatordi, Giuseppe Felice; Nicolotti, Orazio | |
| A rational approach to elucidate human monoamine oxidase molecular selectivity | 1-gen-2017 | Mangiatordi, Giuseppe Felice; Alberga, Domenico; Pisani, Leonardo; Gadaleta, Domenico; Trisciuzzi, Daniela; Farina, Roberta; Carotti, A; Lattanzi, G; Catto, Marco; Nicolotti, Orazio | |
| Accelerating drug discovery by early protein drug target prediction based on a multi-fingerprint similarity search † | 1-gen-2019 | Montaruli, M.; Alberga, D.; Ciriaco, F.; Trisciuzzi, D.; Tondo, A. R.; Mangiatordi, G. F.; Nicolotti, O. | |
| An Integrated Machine Learning Model to Spot Peptide Binding Pockets in 3D Protein Screening | 1-gen-2022 | Trisciuzzi, Daniela; Siragusa, Lydia; Baroni, Massimo; Cruciani, Gabriele; Nicolotti, Orazio | |
| Analysis of solvent-exposed and buried co-crystallized ligands: a case study to support the design of novel protein–protein interaction inhibitors | 1-gen-2019 | Trisciuzzi, Daniela; Nicolotti, Orazio; Miteva, Maria A.; Villoutreix, Bruno O. | |
| Automated identification of structurally heterogeneous and patentable antiproliferative hits as potential tubulin inhibitors | 1-gen-2018 | Mangiatordi, G. F.; Trisciuzzi, D.; Iacobazzi, R.; Denora, N.; Pisani, L.; Catto, M.; Leonetti, F.; Alberga, D.; Nicolotti, O. | |
| Bcr-Abl Allosteric Inhibitors: Where We Are and Where We Are Going to | 1-gen-2020 | Carofiglio, F.; Trisciuzzi, D.; Gambacorta, N.; Leonetti, F.; Stefanachi, A.; Nicolotti, O. | |
| CATMoS: Collaborative Acute Toxicity Modeling Suite | 1-gen-2021 | Mansouri, K; Karmaus, Al; Fitzpatrick, J; Patlewicz, G; Pradeep, P; Alberga, D; Alepee, N; Allen, Teh; Allen, D; Alves, Vm; Andrade, Ch; Auernhammer, Tr; Ballabio, D; Bell, S; Benfenati, E; Bhattacharya, S; Bastos, Jv; Boyd, S; Brown, Jb; Capuzzi, Sj; Chushak, Y; Ciallella, H; Clark, Am; Consonni, V; Daga, Pr; Ekins, S; Farag, S; Fedorov, M; Fourches, D; Gadaleta, D; Gao, F; Gearhart, Jm; Goh, G; Goodman, Jm; Grisoni, F; Grulke, Cm; Hartung, T; Hirn, M; Karpov, P; Korotcov, A; Lavado, Gj; Lawless, M; Li, Xh; Luechtefeld, T; Lunghini, F; Mangiatordi, Gf; Marcou, G; Marsh, D; Martin, T; Mauri, A; Muratov, En; Myatt, Gj; Nguyen, Dt; Nicolotti, O; Note, R; Pande, P; Parks, Ak; Peryea, T; Polash, Ah; Rallo, R; Roncaglioni, A; Rowlands, C; Ruiz, P; Russo, Dp; Sayed, A; Sayre, R; Sheils, T; Siegel, C; Silva, Ac; Simeonov, A; Sosnin, S; Southall, N; Strickland, J; Tang, Y; Teppen, B; Tetko, Iv; Thomas, D; Tkachenko, V; Todeschini, R; Toma, C; Tripodi, I; Trisciuzzi, D; Tropsha, A; Varnek, A; Vukovic, K; Wang, Zy; Wang, Lg; Waters, Km; Wedlake, Aj; Wijeyesakere, Sj; Wilson, D; Xiao, Zj; Yang, Hb; Zahoranszky-Kohalmi, G; Zakharov, Av; Zhang, Ff; Zhang, Z; Zhao, Tg; Zhu, H; Zorn, Km; Casey, W; Kleinstreuer, Nc | |
| CERAPP: Collaborative estrogen receptor activity prediction project | 1-gen-2016 | Mansouri, Kamel; Abdelaziz, Ahmed; Rybacka, Aleksandra; Roncaglioni, Alessandra; Tropsha, Alexander; Varnek, Alexandre; Zakharov, Alexey; Worth, Andrew; Richard, Ann M.; Grulke, Christopher M.; Trisciuzzi, Daniela; Fourches, Denis; Horvath, Dragos; Benfenati, Emilio; Muratov, Eugene; Wedebye, Eva Bay; Grisoni, Francesca; Mangiatordi, Giuseppe Felice; Incisivo, Giuseppina M.; Hong, Huixiao; Ng, Hui W.; Tetko, Igor V.; Balabin, Ilya; Kancherla, Jayaram; Shen, Jie; Burton, Julien; Nicklaus, Marc; Cassotti, Matteo; Nikolov, Nikolai G.; Nicolotti, Orazio; Andersson, Patrik L.; Zang, Qingda; Politi, Regina; Beger, Richard D.; Todeschini, Roberto; Huang, Ruili; Farag, Sherif; Rosenberg, Sine A.; Slavov, Svetoslav; Hu, Xin; Judson, Richard S. | |
| Chalcones with N-Methylpiperazine Moiety: Synthesis, Monoamine Oxidase Inhibition, Neuroprotective Effect and Computer Simulation Study | 1-gen-2024 | Jayan, Jayalakshmi; Trisciuzzi, Daniela; Benny, Feba; Kumar, Sunil; Gambacorta, Nicola; Catto, Marco; Abdelgawad, Mohamed A.; Ghoneim, Mohammed M.; Hamed Al-Serwi, Rasha; Gahtori, Prashant; Mary Zachariah, Subin; Nicolotti, Orazio; Bijo Mathew, And | |
| Compara: Collaborative modeling project for androgen receptor activity | 1-gen-2020 | Mansouri, K.; Kleinstreuer, N.; Abdelaziz, A. M.; Alberga, D.; Alves, V. M.; Andersson, P. L.; Andrade, C. H.; Bai, F.; Balabin, I.; Ballabio, D.; Benfenati, E.; Bhhatarai, B.; Boyer, S.; Chen, J.; Consonni, V.; Farag, S.; Fourches, D.; Garcia-Sosa, A. T.; Gramatica, P.; Grisoni, F.; Grulke, C. M.; Hong, H.; Horvath, D.; Hu, X.; Huang, R.; Jeliazkova, N.; Li, J.; Li, X.; Liu, H.; Manganelli, S.; Mangiatordi, G. F.; Maran, U.; Marcou, G.; Martin, T.; Muratov, E.; Nguyen, D. -T.; Nicolotti, O.; Nikolov, N. G.; Norinder, U.; Papa, E.; Petitjean, M.; Piir, G.; Pogodin, P.; Poroikov, V.; Qiao, X.; Richard, A. M.; Roncaglioni, A.; Ruiz, P.; Rupakheti, C.; Sakkiah, S.; Sangion, A.; Schramm, K. -W.; Selvaraj, C.; Shah, I.; Sild, S.; Sun, L.; Taboureau, O.; Tang, Y.; Tetko, I. V.; Todeschini, R.; Tong, W.; Trisciuzzi, D.; Tropsha, A.; Van Den Driessche, G.; Varnek, A.; Wang, Z.; Wedebye, E. B.; Williams, A. J.; Xie, H.; Zakharov, A. V.; Zheng, Z.; Judson, R. S. | |
| Comparative Molecular Dynamics Study of Neuromyelitis Optica-Immunoglobulin G Binding to Aquaporin-4 Extracellular Domains | 1-gen-2017 | Alberga, Domenico; Trisciuzzi, Daniela; Lattanzi, Gianluca; Bennett, Jeffrey; Verkman, Alan; Mangiatordi, Giuseppe; Nicolotti, Orazio | |
| De Novo Drug Design of Targeted Chemical Libraries Based on Artificial Intelligence and Pair-Based Multiobjective Optimization | 1-gen-2020 | Alberga, Domenico; Gambacorta, Nicola; Trisciuzzi, Daniela; Ciriaco, Fulvio; Amoroso, Nicola; Nicolotti, Orazio | |
| Design, Synthesis, and Biological Evaluation of Tetrahydro-β-carboline Derivatives as Selective Sub-Nanomolar Gelatinase Inhibitors | 1-gen-2018 | Mangiatordi, Giuseppe Felice; Guzzo, Tatiana; Rossano, Eugenio Claudio; Trisciuzzi, Daniela; Alberga, Domenico; Fasciglione, Giovanni; Coletta, Massimiliano; Topai, Alessandra; Nicolotti, Orazio | |
| Docking-based classification models for exploratory toxicology studies on high-quality estrogenic experimental data | 1-gen-2015 | Trisciuzzi, Daniela; Alberga, Domenico; Mansouri, K; Judson, R; Cellamare, Saverio; Catto, Marco; Carotti, Angelo; Benfenati, E; Novellino, E; Mangiatordi, Giuseppe Felice; Nicolotti, Orazio | |
| Exploration of a new class of monoamine oxidase B inhibitors by assembling benzyloxy pharmacophore on halogenated chalcones | 1-gen-2023 | Singh, Ak; Kim, Sm; Oh, Jm; Abdelgawad, Ma; Ghoneim, Mm; Rangarajan, Tm; Kumar, S; Sudevan, St; Trisciuzzi, D; Nicolotti, O; Kim, H; Mathew, B | |
| Getting Insights into Structural and Energetic Properties of Reciprocal Peptide–Protein Interactions | 1-gen-2022 | Trisciuzzi, Daniela; Siragusa, Lydia; Baroni, Massimo; Autiero, Ida; Nicolotti, Orazio; Cruciani, Gabriele | |
| Growth hormone secretagogues modulate inflammation and fibrosis in mdx mouse model of Duchenne muscular dystrophy | 1-gen-2023 | Boccanegra, B.; Cappellari, O.; Mantuano, P.; Trisciuzzi, D.; Mele, A.; Tulimiero, L.; De Bellis, M.; Cirmi, S.; Sanarica, F.; Cerchiara, A. G.; Conte, E.; Meanti, R.; Rizzi, L.; Bresciani, E.; Denoyelle, S.; Fehrentz, J. -A.; Cruciani, G.; Nicolotti, O.; Liantonio, A.; Torsello, A.; De Luca, A. | |
| Human aquaporin-4 and molecular modeling: Historical perspective and view to the future | 1-gen-2016 | Mangiatordi, Giuseppe Felice; Alberga, Domenico; Trisciuzzi, Daniela; Lattanzi, Gianluca; Nicolotti, Orazio | |
| Inhibition of Cholinesterases by Benzothiazolone Derivatives | 1-gen-2022 | Alagoz, Ma; Kim, Sm; Oh, Jm; Arslan, G; Ozdemir, Z; Sari, S; Ozcelik, Ab; Onkol, T; Trisciuzzi, D; Nicolotti, O; Kim, H; Mathew, B |