Alessio De Simone

N-Hydroxyindole-based inhibitors of lactate dehydrogenase against cancer cell proliferation

Carlotta Granchi, Sarabindu Roy, Alessio De Simone et al. · European Journal of Medicinal Chemistry · 2011 · 69 citations

Medicine, Medicinal Chemistry, Pharmacology +10

Historical mystery solved: a multi-analytical approach to the identification of a key marker for the historical use of brazilwood (<i>Caesalpinia</i> spp.) in paintings and textiles

David A. Peggie, Jo Kirby, Jennifer Poulin et al. · Analytical Methods · 2018 · 45 citations · Full text

Arts, Art History, Botany +12

A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors

Alessio De Simone, C. Georgiou, Harris Ioannidis et al. · Chemical Science · 2018 · 38 citations · Full text

Pharmacy, Medicinal Chemistry, Molecular Biology +17

Design, Synthesis, Structure–Activity Relationship Studies, and Three-Dimensional Quantitative Structure–Activity Relationship (3D-QSAR) Modeling of a Series of <i>O</i>-Biphenyl Carbamates as Dual Modulators of Dopamine D3 Receptor and Fatty Acid Amide Hydrolase

Alessio De Simone, Debora Russo, G.F. Ruda et al. · Journal of Medicinal Chemistry · 2017 · 34 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +17

Dynamic design: manipulation of millisecond timescale motions on the energy landscape of cyclophilin A

Jordi Juárez‐Jiménez, Arun A. Gupta, Gogulan Karunanithy et al. · Chemical Science · 2020 · 33 citations · Full text

Natural Sciences, Biochemistry, Biophysics +17