Lodola A - Search Results

1

Peptidyl nitroalkene inhibitors of main protease rationalized by computational and crystallographic investigations as antivirals against SARS-CoV-2.

Medrano FJ, de la Hoz-Rodríguez S, Martí S, Arafet K, Schirmeister T, Hammerschmidt SJ, Müller C, González-Martínez Á, Santillana E, Ziebuhr J, Romero A, Zimmer C, Weldert A, Zimmermann R, Lodola A, Świderek K, Moliner V, González FV. Medrano FJ, et al. Among authors: lodola a. Commun Chem. 2024 Jan 18;7(1):15. doi: 10.1038/s42004-024-01104-7. Commun Chem. 2024. PMID: 38238420 Free PMC article.

2

Mechanism of inhibition of SARS-CoV-2 M^pro by N3 peptidyl Michael acceptor explained by QM/MM simulations and design of new derivatives with tunable chemical reactivity.

Arafet K, Serrano-Aparicio N, Lodola A, Mulholland AJ, González FV, Świderek K, Moliner V. Arafet K, et al. Among authors: lodola a. Chem Sci. 2020 Nov 27;12(4):1433-1444. doi: 10.1039/d0sc06195f. Chem Sci. 2020. PMID: 34163906 Free PMC article.

3

Impact of Warhead Modulations on the Covalent Inhibition of SARS-CoV-2 M^pro Explored by QM/MM Simulations.

Martí S, Arafet K, Lodola A, Mulholland AJ, Świderek K, Moliner V. Martí S, et al. Among authors: lodola a. ACS Catal. 2022 Jan 7;12(1):698-708. doi: 10.1021/acscatal.1c04661. Epub 2021 Dec 26. ACS Catal. 2022. PMID: 35036042

4

Mechanistic Modeling of Lys745 Sulfonylation in EGFR C797S Reveals Chemical Determinants for Inhibitor Activity and Discriminates Reversible from Irreversible Agents.

Arafet K, Scalvini L, Galvani F, Martí S, Moliner V, Mor M, Lodola A. Arafet K, et al. Among authors: lodola a. J Chem Inf Model. 2023 Feb 27;63(4):1301-1312. doi: 10.1021/acs.jcim.2c01586. Epub 2023 Feb 10. J Chem Inf Model. 2023. PMID: 36762429 Free PMC article.

5

Discovery of SARS-CoV-2 M^pro peptide inhibitors from modelling substrate and ligand binding.

Chan HTH, Moesser MA, Walters RK, Malla TR, Twidale RM, John T, Deeks HM, Johnston-Wood T, Mikhailov V, Sessions RB, Dawson W, Salah E, Lukacik P, Strain-Damerell C, Owen CD, Nakajima T, Świderek K, Lodola A, Moliner V, Glowacki DR, Spencer J, Walsh MA, Schofield CJ, Genovese L, Shoemark DK, Mulholland AJ, Duarte F, Morris GM. Chan HTH, et al. Among authors: lodola a. Chem Sci. 2021 Sep 6;12(41):13686-13703. doi: 10.1039/d1sc03628a. eCollection 2021 Oct 27. Chem Sci. 2021. PMID: 34760153 Free PMC article.

6

Quantum mechanics/molecular mechanics modeling of fatty acid amide hydrolase reactivation distinguishes substrate from irreversible covalent inhibitors.

Lodola A, Capoferri L, Rivara S, Tarzia G, Piomelli D, Mulholland A, Mor M. Lodola A, et al. J Med Chem. 2013 Mar 28;56(6):2500-12. doi: 10.1021/jm301867x. Epub 2013 Mar 7. J Med Chem. 2013. PMID: 23425199 Free PMC article.

7

Long-lasting inhibition of EGFR autophosphorylation in A549 tumor cells by intracellular accumulation of non-covalent inhibitors.

Vacondio F, Carmi C, Galvani E, Bassi M, Silva C, Lodola A, Rivara S, Cavazzoni A, Alfieri RR, Petronini PG, Mor M. Vacondio F, et al. Among authors: lodola a. Bioorg Med Chem Lett. 2013 Oct 1;23(19):5290-4. doi: 10.1016/j.bmcl.2013.08.008. Epub 2013 Aug 11. Bioorg Med Chem Lett. 2013. PMID: 23988354

8

New classes of potent heparanase inhibitors from ligand-based virtual screening.

Pala D, Scalvini L, Elisi GM, Lodola A, Mor M, Spadoni G, Ferrara FF, Pavoni E, Roscilli G, Milazzo FM, Battistuzzi G, Rivara S, Giannini G. Pala D, et al. Among authors: lodola a. J Enzyme Inhib Med Chem. 2020 Dec;35(1):1685-1696. doi: 10.1080/14756366.2020.1811701. J Enzyme Inhib Med Chem. 2020. PMID: 32907434 Free PMC article.

9

Cyclohexylcarbamic acid 3'- or 4'-substituted biphenyl-3-yl esters as fatty acid amide hydrolase inhibitors: synthesis, quantitative structure-activity relationships, and molecular modeling studies.

Mor M, Rivara S, Lodola A, Plazzi PV, Tarzia G, Duranti A, Tontini A, Piersanti G, Kathuria S, Piomelli D. Mor M, et al. Among authors: lodola a. J Med Chem. 2004 Oct 7;47(21):4998-5008. doi: 10.1021/jm031140x. J Med Chem. 2004. PMID: 15456244 Free article.

10

Application of computational methods to the design of fatty acid amide hydrolase (FAAH) inhibitors based on a carbamic template structure.

Lodola A, Rivara S, Mor M. Lodola A, et al. Adv Protein Chem Struct Biol. 2011;85:1-26. doi: 10.1016/B978-0-12-386485-7.00001-6. Adv Protein Chem Struct Biol. 2011. PMID: 21920320 Review.

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

158 results

Search Page