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Identification of small molecule antivirals against HTLV-1 by targeting the hDLG1-Tax-1 protein-protein interaction.
Maseko SB, Brammerloo Y, Van Molle I, Sogues A, Martin C, Gorgulla C, Plant E, Olivet J, Blavier J, Ntombela T, Delvigne F, Arthanari H, El Hajj H, Bazarbachi A, Van Lint C, Salehi-Ashtiani K, Remaut H, Ballet S, Volkov AN, Twizere JC. Maseko SB, et al. Among authors: gorgulla c. Antiviral Res. 2023 Sep;217:105675. doi: 10.1016/j.antiviral.2023.105675. Epub 2023 Jul 21. Antiviral Res. 2023. PMID: 37481039
Targeting ROS production through inhibition of NADPH oxidases.
Reis J, Gorgulla C, Massari M, Marchese S, Valente S, Noce B, Basile L, Törner R, Cox H 3rd, Viennet T, Yang MH, Ronan MM, Rees MG, Roth JA, Capasso L, Nebbioso A, Altucci L, Mai A, Arthanari H, Mattevi A. Reis J, et al. Among authors: gorgulla c. Nat Chem Biol. 2023 Dec;19(12):1540-1550. doi: 10.1038/s41589-023-01457-5. Epub 2023 Oct 26. Nat Chem Biol. 2023. PMID: 37884805
An open-source drug discovery platform enables ultra-large virtual screens.
Gorgulla C, Boeszoermenyi A, Wang ZF, Fischer PD, Coote PW, Padmanabha Das KM, Malets YS, Radchenko DS, Moroz YS, Scott DA, Fackeldey K, Hoffmann M, Iavniuk I, Wagner G, Arthanari H. Gorgulla C, et al. Nature. 2020 Apr;580(7805):663-668. doi: 10.1038/s41586-020-2117-z. Epub 2020 Mar 9. Nature. 2020. PMID: 32152607 Free PMC article.
A biphenyl inhibitor of eIF4E targeting an internal binding site enables the design of cell-permeable PROTAC-degraders.
Fischer PD, Papadopoulos E, Dempersmier JM, Wang ZF, Nowak RP, Donovan KA, Kalabathula J, Gorgulla C, Junghanns PPM, Kabha E, Dimitrakakis N, Petrov OI, Mitsiades C, Ducho C, Gelev V, Fischer ES, Wagner G, Arthanari H. Fischer PD, et al. Among authors: gorgulla c. Eur J Med Chem. 2021 Jul 5;219:113435. doi: 10.1016/j.ejmech.2021.113435. Epub 2021 Apr 8. Eur J Med Chem. 2021. PMID: 33892272 Free PMC article.
Non-covalent SARS-CoV-2 Mpro inhibitors developed from in silico screen hits.
Rossetti GG, Ossorio MA, Rempel S, Kratzel A, Dionellis VS, Barriot S, Tropia L, Gorgulla C, Arthanari H, Thiel V, Mohr P, Gamboni R, Halazonetis TD. Rossetti GG, et al. Among authors: gorgulla c. Sci Rep. 2022 Feb 15;12(1):2505. doi: 10.1038/s41598-022-06306-4. Sci Rep. 2022. PMID: 35169179 Free PMC article.
20 results