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Adiabatic-Bias Molecular Dynamics Simulations Reveal the Impact of Mutations on Muscarinic Antagonist Unbinding Kinetics 1-gen-2025 Coricello, Adriana; Chiaravalle, Anna Lisa; Musgaard, Maria; Gerald Tehan, Benjamin; Elisi, Gian Marco; Bottegoni, Giovanni
Impact of G protein-coupled receptor conformation on signaling bias: Integrating simulations and biophysical experiments 1-gen-2025 Elisi, Gian Marco; Bottegoni, Giovanni
Pyrazolone-based ERO1 inhibitors in ERO1-driven Triple-Negative Breast Cancer and SEPN1-Related Myopathy: Structure-activity relationship and therapeutic potential 1-gen-2025 Retini, Michele; Cherubini, Alessandro; Marrazza, Alice; Varone, Ersilia; Germani, Serena; Renna, Giorgia Maria; Recchia, Adriano; Guidarelli, Andrea; Fumagalli, Stefano; Grasselli, Chiara; Mari, Michele; Piersanti, Giovanni; Bottegoni, Giovanni; Tonelli, Roberto; Gobbi, Marco; Jin, Bo-Ram; Cho, Jaehyung; Cantoni, Orazio; Zito, Ester
Small molecule-mediated inhibition of the oxidoreductase ERO1A restrains aggressive breast cancer by impairing VEGF and PD-L1 in the tumor microenvironment 1-gen-2025 Varone, Ersilia; Retini, Michele; Cherubini, Alessandro; Chernorudskiy, Alexander; Marrazza, Alice; Guidarelli, Andrea; Cagnotto, Alfredo; Beeg, Marten; Gobbi, Marco; Fumagalli, Stefano; Bolis, Marco; Guarrera, Luca; Barbera, Maria Chiara; Grasselli, Chiara; Bleve, Augusto; Generali, Daniele; Milani, Manuela; Mari, Michele; Salmona, Mario; Piersanti, Giovanni; Bottegoni, Giovanni; Broggini, Massimo; Janssen-Heininger, Yvonne M. W.; Cho, Jaehyung; Cantoni, Orazio; Zito, Ester
Application of Deep Learning to Predict the Persistence, Bioaccumulation, and Toxicity of Pharmaceuticals 1-gen-2025 Evangelista, Dominga; Nelson, Elliot; Skyner, Rachael; Tehan, Ben; Bernetti, Mattia; Roberti, Marinella; Bolognesi, Maria Laura; Bottegoni, Giovanni
Systematic Investigation of Dual-Target-Directed Ligands 1-gen-2024 Lembo, Vittorio; Bottegoni, Giovanni
Comparative Study of Allosteric GPCR Binding Sites and Their Ligandability Potential 1-gen-2024 Peter, Sonja; Siragusa, Lydia; Thomas, Morgan; Palomba, Tommaso; Cross, Simon; O'Boyle, Noel M.; Bajusz, Dávid; Ferenczy, György G.; Keserű, György M.; Bottegoni, Giovanni; Bender, Brian; Chen, Ijen; De Graaf, Chris
Increased throughput in methods for simulating protein ligand binding and unbinding 1-gen-2024 Rehana Zia, Syeda; Coricello, Adriana; Bottegoni, Giovanni
Galantamine-memantine hybrids for Alzheimer's disease: The influence of linker rigidity in biological activity and pharmacokinetic properties 1-gen-2023 Basagni, Filippo; Ortega, Jose A; Bertozzi, Sine M; Armirotti, Andrea; Summa, Maria; Bertorelli, Rosalia; Bartolini, Manuela; Mellor, Ian R; Bedeschi, Martina; Bottegoni, Giovanni; Lembo, Vittorio; Minarini, Anna; Cavalli, Andrea; Rosini, Michela
Investigating the Unbinding of Muscarinic Antagonists from the Muscarinic 3 Receptor 1-gen-2023 Buigues, Pedro J; Gehrke, Sascha; Badaoui, Magd; Dudas, Balint; Mandana, Gaurav; Qi, Tianyun; Bottegoni, Giovanni; Rosta, Edina
Dopamine D3 receptor ligands: a patent review (2014-2020) 1-gen-2022 Di Martino, Rita Maria Concetta; Cavalli, Andrea; Bottegoni, Giovanni
The multitarget FAAH inhibitor/D3 partial agonist ARN15381 decreases nicotine self-administration in male rats 1-gen-2022 Lunerti, Veronica; Li, Hongwu; Benvenuti, Federica; Shen, Qianwei; Domi, Ana; Soverchia, Laura; Concetta Di Martino, Rita Maria; Bottegoni, Giovanni; Haass-Koffler, Carolina L; Cannella, Nazzareno
Discovery and SAR Evolution of Pyrazole Azabicyclo[3.2.1]octane Sulfonamides as a Novel Class of Non-Covalent N-Acylethanolamine-Hydrolyzing Acid Amidase (NAAA) Inhibitors for Oral Administration 1-gen-2021 Di Fruscia, Paolo; Carbone, Anna; Bottegoni, Giovanni; Berti, Francesco; Giacomina, Francesca; Ponzano, Stefano; Pagliuca, Chiara; Fiasella, Annalisa; Pizzirani, Daniela; Antonio Ortega, Jose; Nuzzi, Andrea; Tarozzo, Glauco; Mengatto, Luisa; Giampà, Roberta; Penna, Ilaria; Russo, Debora; Romeo, Elisa; Summa, Maria; Bertorelli, Rosalia; Armirotti, Andrea; Mandrup Bertozzi, Sine; Reggiani, Angelo; Bandiera, Tiziano; Fabio Bertozzi, And
Inflammation causes remodeling of mitochondrial cytochrome c oxidase mediated by the bifunctional gene C15orf48 1-gen-2021 Clayton, Sally A; Daley, Kalbinder K; Macdonald, Lucy; Fernandez-Vizarra, Erika; Bottegoni, Giovanni; O'Neil, John D; Major, Triin; Griffin, Daniel; Zhuang, Qinqin; Adewoye, Adeolu B; Woolcock, Kieran; Jones, Simon W; Goodyear, Carl; Elmesmari, Aziza; Filer, Andrew; Tennant, Daniel A; Alivernini, Stefano; Buckley, Christopher D; Pitceathly, Robert D S; Kurowska-Stolarska, Mariola; Clark, Andrew R
Multitarget Compounds for Bipolar Disorder: From Rational Design to Preliminary Pharmacokinetic Evaluation 1-gen-2020 Di Martino, Rita Maria Concetta; Bottegoni, Giovanni; Seghetti, Francesca; Russo, Debora; Penna, Ilaria; De Simone, Alessio; Ottonello, Giuliana; Mandrup Bertozzi, Sine; Armirotti, Andrea; Bandiera, Tiziano; Belluti, Federica; Cavalli, Andrea
Multi-target dopamine D3 receptor modulators: Actionable knowledge for drug design from molecular dynamics and machine learning 1-gen-2020 Ferraro, Mariarosaria; Decherchi, Sergio; De Simone, Alessio; Recanatini, Maurizio; Cavalli, Andrea; Bottegoni, Giovanni
A Triazolotriazine-Based Dual GSK-3β/CK-1δ Ligand as a Potential Neuroprotective Agent Presenting Two Different Mechanisms of Enzymatic Inhibition 1-gen-2019 Redenti, Sara; Marcovich, Irene; De Vita, Teresa; Pérez, Concepción; De Zorzi, Rita; Demitri, Nicola; Perez, Daniel I.; Bottegoni, Giovanni; Bisignano, Paola; Bissaro, Maicol; Moro, Stefano; Martinez, Ana; Storici, Paola; Spalluto, Giampiero; Cavalli, Andrea; Federico, Stephanie
BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery 1-gen-2018 Decherchi, S; Bottegoni, G; Spitaleri, A; Rocchia, W; Cavalli, A
Structure of the complement C5a receptor bound to the extra-helical antagonist NDT9513727 1-gen-2018 Robertson, N; Rappas, M; Dore, As; Brown, J; Bottegoni, G; Koglin, M; Cansfield, J; Jazayeri, A; Cooke, Rm; Marshall, Fh
BACE-1 Inhibitors: From Recent Single-Target Molecules to Multitarget Compounds for Alzheimer's Disease 1-gen-2018 Prati, F; Bottegoni, G; Bolognesi, Ml; Cavalli, A
Mostrati risultati da 1 a 20 di 76
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