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Simone Albani
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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
1112021
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
542021
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
452021
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
192022
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
142021
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
132022
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
22024
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
22023
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
12023
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
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