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Items: 5


Structure-Based Optimization of N-Substituted Oseltamivir Derivatives as Potent Anti-Influenza A Virus Agents with Significantly Improved Potency against Oseltamivir-Resistant N1-H274Y Variant.

Zhang J, Murugan NA, Tian Y, Bertagnin C, Fang Z, Kang D, Kong X, Jia H, Sun Z, Jia R, Gao P, Poongavanam V, Loregian A, Xu W, Ma X, Ding X, Huang B, Zhan P, Liu X.

J Med Chem. 2018 Nov 21;61(22):9976-9999. doi: 10.1021/acs.jmedchem.8b01065. Epub 2018 Nov 6.


Optimization of N-Substituted Oseltamivir Derivatives as Potent Inhibitors of Group-1 and -2 Influenza A Neuraminidases, Including a Drug-Resistant Variant.

Zhang J, Poongavanam V, Kang D, Bertagnin C, Lu H, Kong X, Ju H, Lu X, Gao P, Tian Y, Jia H, Desta S, Ding X, Sun L, Fang Z, Huang B, Liang X, Jia R, Ma X, Xu W, Murugan NA, Loregian A, Huang B, Zhan P, Liu X.

J Med Chem. 2018 Jul 26;61(14):6379-6397. doi: 10.1021/acs.jmedchem.8b00929. Epub 2018 Jul 16.


Nonempirical Simulations of Inhomogeneous Broadening of Electronic Transitions in Solution: Predicting Band Shapes in One- and Two-Photon Absorption Spectra of Chalcones.

Bednarska J, Zaleśny R, Tian G, Murugan NA, Ågren H, Bartkowiak W.

Molecules. 2017 Sep 30;22(10). pii: E1643. doi: 10.3390/molecules22101643.


Effect of Alzheimer Familial Chromosomal Mutations on the Amyloid Fibril Interaction with Different PET Tracers: Insight from Molecular Modeling Studies.

Balamurugan K, Murugan NA, Långström B, Nordberg A, Ågren H.

ACS Chem Neurosci. 2017 Dec 20;8(12):2655-2666. doi: 10.1021/acschemneuro.7b00215. Epub 2017 Oct 3.


Multistep Modeling Strategy To Improve the Binding Affinity Prediction of PET Tracers to Aβ42: Case Study with Styrylbenzoxazole Derivatives.

Balamurugan K, Murugan NA, Ågren H.

ACS Chem Neurosci. 2016 Dec 21;7(12):1698-1705. doi: 10.1021/acschemneuro.6b00216. Epub 2016 Sep 29.


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