Margiotta E - Search Results

1

Mechanistic Duality of Bacterial Efflux Substrates and Inhibitors: Example of Simple Substituted Cinnamoyl and Naphthyl Amides.

D'Cunha N, Moniruzzaman M, Haynes K, Malloci G, Cooper CJ, Margiotta E, Vargiu AV, Uddin MR, Leus IV, Cao F, Parks JM, Rybenkov VV, Ruggerone P, Zgurskaya HI, Walker JK. D'Cunha N, et al. Among authors: margiotta e. ACS Infect Dis. 2021 Sep 10;7(9):2650-2665. doi: 10.1021/acsinfecdis.1c00100. Epub 2021 Aug 11. ACS Infect Dis. 2021. PMID: 34379382 Free PMC article.

2

Predictive Rules of Efflux Inhibition and Avoidance in Pseudomonas aeruginosa.

Mehla J, Malloci G, Mansbach R, López CA, Tsivkovski R, Haynes K, Leus IV, Grindstaff SB, Cascella RH, D'Cunha N, Herndon L, Hengartner NW, Margiotta E, Atzori A, Vargiu AV, Manrique PD, Walker JK, Lomovskaya O, Ruggerone P, Gnanakaran S, Rybenkov VV, Zgurskaya HI. Mehla J, et al. Among authors: margiotta e. mBio. 2021 Jan 19;12(1):e02785-20. doi: 10.1128/mBio.02785-20. mBio. 2021. PMID: 33468691 Free PMC article.

3

Molecular determinants of avoidance and inhibition of Pseudomonas aeruginosa MexB efflux pump.

Gervasoni S, Mehla J, Bergen CR, Leus IV, Margiotta E, Malloci G, Bosin A, Vargiu AV, Lomovskaya O, Rybenkov VV, Ruggerone P, Zgurskaya HI. Gervasoni S, et al. Among authors: margiotta e. mBio. 2023 Aug 31;14(4):e0140323. doi: 10.1128/mbio.01403-23. Epub 2023 Jul 26. mBio. 2023. PMID: 37493633 Free PMC article.

4

SARS-CoV spike proteins can compete for electrolytes in physiological fluids according to structure-based quantum-chemical calculations.

Margiotta E, Fonseca Guerra C. Margiotta E, et al. Comput Theor Chem. 2021 Oct;1204:113392. doi: 10.1016/j.comptc.2021.113392. Epub 2021 Aug 5. Comput Theor Chem. 2021. PMID: 34395179 Free PMC article.

5

Halogen Bonds in Ligand-Protein Systems: Molecular Orbital Theory for Drug Design.

Margiotta E, van der Lubbe SCC, de Azevedo Santos L, Paragi G, Moro S, Bickelhaupt FM, Fonseca Guerra C. Margiotta E, et al. J Chem Inf Model. 2020 Mar 23;60(3):1317-1328. doi: 10.1021/acs.jcim.9b00946. Epub 2020 Feb 13. J Chem Inf Model. 2020. PMID: 32003997 Free PMC article.

6

[1,2,4]Triazolo[1,5-c]pyrimidines as adenosine receptor antagonists: Modifications at the 8 position to reach selectivity towards A₃ adenosine receptor subtype.

Federico S, Margiotta E, Salmaso V, Pastorin G, Kachler S, Klotz KN, Moro S, Spalluto G. Federico S, et al. Among authors: margiotta e. Eur J Med Chem. 2018 Sep 5;157:837-851. doi: 10.1016/j.ejmech.2018.08.042. Epub 2018 Aug 20. Eur J Med Chem. 2018. PMID: 30144700 Free article.

7

Could the presence of sodium ion influence the accuracy and precision of the ligand-posing in the human A_2A adenosine receptor orthosteric binding site using a molecular docking approach? Insights from Dockbench.

Margiotta E, Deganutti G, Moro S. Margiotta E, et al. J Comput Aided Mol Des. 2018 Dec;32(12):1337-1346. doi: 10.1007/s10822-018-0174-2. Epub 2018 Oct 25. J Comput Aided Mol Des. 2018. PMID: 30361971

8

Pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidines to develop functionalized ligands to target adenosine receptors: fluorescent ligands as an example.

Federico S, Margiotta E, Paoletta S, Kachler S, Klotz KN, Jacobson KA, Pastorin G, Moro S, Spalluto G. Federico S, et al. Among authors: margiotta e. Medchemcomm. 2019 Feb 18;10(7):1094-1108. doi: 10.1039/c9md00014c. eCollection 2019 Jul 1. Medchemcomm. 2019. PMID: 31391881 Free PMC article.

9

Conjugable A₃ adenosine receptor antagonists for the development of functionalized ligands and their use in fluorescent probes.

Federico S, Margiotta E, Moro S, Kozma E, Gao ZG, Jacobson KA, Spalluto G. Federico S, et al. Among authors: margiotta e. Eur J Med Chem. 2020 Jan 15;186:111886. doi: 10.1016/j.ejmech.2019.111886. Epub 2019 Nov 22. Eur J Med Chem. 2020. PMID: 31787357 Free PMC article.

10

Potent and selective A₃ adenosine receptor antagonists bearing aminoesters as heterobifunctional moieties.

Federico S, Margiotta E, Moro S, Kachler S, Klotz KN, Spalluto G. Federico S, et al. Among authors: margiotta e. RSC Med Chem. 2020 Dec 14;12(2):254-262. doi: 10.1039/d0md00380h. eCollection 2021 Mar 4. RSC Med Chem. 2020. PMID: 34046614 Free PMC article.

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