Molecular Docking and 3D-Pharmacophore Modeling to Study the Interactions of Chalcone Derivatives with Estrogen Receptor Alpha

por Muchtaridi, Muchtaridi, Syahidah, Hasna Nur, Subarnas, Anas, Yusuf, Muhammad, Bryant, Sharon D., Langer, Thierry
Publicado 2017

Improved Lipophilicity and Aqueous Solubility Prediction with Composite Graph Neural Networks

por Wieder, Oliver, Kuenemann, Mélaine, Wieder, Marcus, Seidel, Thomas, Meyer, Christophe, Bryant, Sharon D., Langer, Thierry
Publicado 2021

Cytotoxicity Of Chalcone Of Eugenia aquea Burm F. Leaves Against T47D Breast Cancer Cell Lines And Its Prediction As An Estrogen Receptor Antagonist Based On Pharmacophore-Molecul...

por Muchtaridi, Muchtaridi, Yusuf, Muhammad, Syahidah, Hasna Nur, Subarnas, Anas, Zamri, Adel, Bryant, Sharon D, Langer, Thierry
Publicado 2019

Discovery of Novel Hsp90 C-Terminal Inhibitors Using 3D-Pharmacophores Derived from Molecular Dynamics Simulations

por Tomašič, Tihomir, Durcik, Martina, Keegan, Bradley M., Skledar, Darja Gramec, Zajec, Živa, Blagg, Brian S. J., Bryant, Sharon D.
Publicado 2020

Selective DNA Gyrase Inhibitors: Multi-Target in Silico Profiling with 3D-Pharmacophores

por Tomašič, Tihomir, Zubrienė, Asta, Skok, Žiga, Martini, Riccardo, Pajk, Stane, Sosič, Izidor, Ilaš, Janez, Matulis, Daumantas, Bryant, Sharon D.
Publicado 2021

Parameters for Irreversible Inactivation of Monoamine Oxidase

por Ramsay, Rona R., Basile, Livia, Maniquet, Antonin, Hagenow, Stefanie, Pappalardo, Matteo, Saija, Maria Chiara, Bryant, Sharon D., Albreht, Alen, Guccione, Salvatore
Publicado 2020

The Mu.Ta.Lig. Chemotheca: A Community-Populated Molecular Database for Multi-Target Ligands Identification and Compound-Repurposing

por Ortuso, Francesco, Bagetta, Donatella, Maruca, Annalisa, Talarico, Carmine, Bolognesi, Maria L., Haider, Norbert, Borges, Fernanda, Bryant, Sharon, Langer, Thierry, Senderowitz, Hanoch, Alcaro, Stefano
Publicado 2018

Molecular and Structural Aspects of Clinically Relevant Mutations of SARS-CoV-2 RNA-Dependent RNA Polymerase in Remdesivir-Treated Patients

por Gratteri, Carmen, Ambrosio, Francesca Alessandra, Lupia, Antonio, Moraca, Federica, Catalanotti, Bruno, Costa, Giosuè, Bellocchi, Maria, Carioti, Luca, Salpini, Romina, Ceccherini-Silberstein, Francesca, Frazia, Simone La, Malagnino, Vincenzo, Sarmati, Loredana, Svicher, Valentina, Bryant, Sharon, Artese, Anna, Alcaro, Stefano
Publicado 2023

GABA(A) receptor-mediated seizure liabilities: a mixed-methods screening approach

por Bampali, Konstantina, Koniuszewski, Filip, Vogel, Florian D., Fabjan, Jure, Andronis, Christos, Lekka, Eftychia, Virvillis, Vassilis, Seidel, Thomas, Delaunois, Annie, Royer, Leandro, Rolf, Michael G., Giuliano, Chiara, Traebert, Martin, Roussignol, Gautier, Fric-Bordat, Magali, Mazelin-Winum, Ludmilla, Bryant, Sharon D., Langer, Thierry, Ernst, Margot
Publicado 2023