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In silico drug discovery of IKK-β inhibitors from 2-amino-3-cyano-4-alkyl-6-(2-hydroxyphenyl) pyridine derivatives based on QSAR, docking, molecular dynamics and drug-likeness evaluation studies.
Hammoudi NE, Benguerba Y, Attoui A, Hognon C, Lemaoui T, Sobhi W, Benaicha M, Badawi M, Monari A. Hammoudi NE, et al. Among authors: hognon c. J Biomol Struct Dyn. 2022 Feb;40(2):886-902. doi: 10.1080/07391102.2020.1819878. Epub 2020 Sep 18. J Biomol Struct Dyn. 2022. PMID: 32948119
Thermodynamics of the Interaction between the Spike Protein of Severe Acute Respiratory Syndrome Coronavirus-2 and the Receptor of Human Angiotensin-Converting Enzyme 2. Effects of Possible Ligands.
García-Iriepa C, Hognon C, Francés-Monerris A, Iriepa I, Miclot T, Barone G, Monari A, Marazzi M. García-Iriepa C, et al. Among authors: hognon c. J Phys Chem Lett. 2020 Nov 5;11(21):9272-9281. doi: 10.1021/acs.jpclett.0c02203. Epub 2020 Oct 21. J Phys Chem Lett. 2020. PMID: 33085491
27 results