Identification of inhibitors of SARS-CoV-2 3CL-pro enzymatic activity using a small molecule in vitro repurposing screen M Kuzikov, E Costanzi, J Reinshagen, F Esposito, L Vangeel, M Wolf, ... ACS pharmacology & translational science 4 (3), 1096-1110, 2021 | 111 | 2021 |
Structural and biochemical analysis of the dual inhibition of MG-132 against SARS-CoV-2 main protease (Mpro/3CLpro) and human cathepsin-L E Costanzi, M Kuzikov, F Esposito, S Albani, N Demitri, B Giabbai, ... International journal of molecular sciences 22 (21), 11779, 2021 | 54 | 2021 |
A blueprint for high affinity SARS-CoV-2 Mpro inhibitors from activity-based compound library screening guided by analysis of protein dynamics J Gossen, S Albani, A Hanke, BP Joseph, C Bergh, M Kuzikov, E Costanzi, ... ACS pharmacology & translational science 4 (3), 1079-1095, 2021 | 45 | 2021 |
Sodium channels and local anesthetics–old friends with new perspectives. J Körner, S Albani, V Sudha Bhagavath Eswaran, AB Röhl, G Rossetti, ... Frontiers in Pharmacology 13, 674, 2022 | 19 | 2022 |
Combining different docking engines and consensus strategies to design and validate optimized virtual screening protocols for the SARS-CoV-2 3CL protease C Manelfi, J Gossen, S Gervasoni, C Talarico, S Albani, BJ Philipp, ... Molecules 26 (4), 797, 2021 | 14 | 2021 |
Towards design of drugs and delivery systems with the Martini coarse-grained model LR Kjølbye, GP Pereira, A Bartocci, M Pannuzzo, S Albani, A Marchetto, ... QRB discovery 3, e19, 2022 | 13 | 2022 |
A community effort in SARS‐CoV‐2 drug discovery J Schimunek, P Seidl, K Elez, T Hempel, T Le, F Noé, S Olsson, L Raich, ... Molecular Informatics 43 (1), e202300262, 2024 | 2 | 2024 |
Unexpected Single-Ligand Occupancy and Negative Cooperativity in the SARS-CoV-2 Main Protease S Albani, E Costanzi, GL Hoang, M Kuzikov, M Frings, N Ansari, N Demitri, ... Journal of Chemical Information and Modeling, 2023 | 2 | 2023 |
Determination and Kinetic Characterization of a New Potential Inhibitor for AmsI Protein Tyrosine Phosphatase from the Apple Pathogen Erwinia amylovora S Albani, I Polsinelli, L Mazzei, F Musiani, S Benini Molecules 28 (23), 7774, 2023 | 1 | 2023 |
Depletion of membrane cholesterol modifies structure, dynamic and activation of Nav1.7 S Albani, VSB Eswaran, A Piergentili, PCT Souza, A Lampert, G Rossetti bioRxiv, 2024.02. 21.581348, 2024 | | 2024 |