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A community effort in SARS-CoV-2 drug discovery.
Schimunek J, Seidl P, Elez K, Hempel T, Le T, Noé F, Olsson S, Raich L, Winter R, Gokcan H, Gusev F, Gutkin EM, Isayev O, Kurnikova MG, Narangoda CH, Zubatyuk R, Bosko IP, Furs KV, Karpenko AD, Kornoushenko YV, Shuldau M, Yushkevich A, Benabderrahmane MB, Bousquet-Melou P, Bureau R, Charton B, Cirou BC, Gil G, Allen WJ, Sirimulla S, Watowich S, Antonopoulos N, Epitropakis N, Krasoulis A, Itsikalis V, Theodorakis S, Kozlovskii I, Maliutin A, Medvedev A, Popov P, Zaretckii M, Eghbal-Zadeh H, Halmich C, Hochreiter S, Mayr A, Ruch P, Widrich M, Berenger F, Kumar A, Yamanishi Y, Zhang KYJ, Bengio E, Bengio Y, Jain MJ, Korablyov M, Liu CH, Marcou G, Glaab E, Barnsley K, Iyengar SM, Ondrechen MJ, Haupt VJ, Kaiser F, Schroeder M, Pugliese L, Albani S, Athanasiou C, Beccari A, Carloni P, D'Arrigo G, Gianquinto E, Goßen J, Hanke A, Joseph BP, Kokh DB, Kovachka S, Manelfi C, Mukherjee G, Muñiz-Chicharro A, Musiani F, Nunes-Alves A, Paiardi G, Rossetti G, Sadiq SK, Spyrakis F, Talarico C, Tsengenes A, Wade RC, Copeland C, Gaiser J, Olson DR, Roy A, Venkatraman V, Wheeler TJ, Arthanari H, Blaschitz K, Cespugli M, Durmaz V, Fackeldey K, Fischer PD, Gorgulla C, Gruber C, Gruber K, Hetmann… See abstract for full author list ➔ Schimunek J, et al. Among authors: albani s. Mol Inform. 2024 Jan;43(1):e202300262. doi: 10.1002/minf.202300262. Epub 2023 Nov 14. Mol Inform. 2024. PMID: 37833243 Free article.
A Blueprint for High Affinity SARS-CoV-2 Mpro Inhibitors from Activity-Based Compound Library Screening Guided by Analysis of Protein Dynamics.
Gossen J, Albani S, Hanke A, Joseph BP, Bergh C, Kuzikov M, Costanzi E, Manelfi C, Storici P, Gribbon P, Beccari AR, Talarico C, Spyrakis F, Lindahl E, Zaliani A, Carloni P, Wade RC, Musiani F, Kokh DB, Rossetti G. Gossen J, et al. Among authors: albani s. ACS Pharmacol Transl Sci. 2021 Mar 16;4(3):1079-1095. doi: 10.1021/acsptsci.0c00215. eCollection 2021 Jun 11. ACS Pharmacol Transl Sci. 2021. PMID: 34136757 Free PMC article.
Identification of Inhibitors of SARS-CoV-2 3CL-Pro Enzymatic Activity Using a Small Molecule in Vitro Repurposing Screen.
Kuzikov M, Costanzi E, Reinshagen J, Esposito F, Vangeel L, Wolf M, Ellinger B, Claussen C, Geisslinger G, Corona A, Iaconis D, Talarico C, Manelfi C, Cannalire R, Rossetti G, Gossen J, Albani S, Musiani F, Herzog K, Ye Y, Giabbai B, Demitri N, Jochmans D, Jonghe S, Rymenants J, Summa V, Tramontano E, Beccari AR, Leyssen P, Storici P, Neyts J, Gribbon P, Zaliani A. Kuzikov M, et al. Among authors: albani s. ACS Pharmacol Transl Sci. 2021 Mar 11;4(3):1096-1110. doi: 10.1021/acsptsci.0c00216. eCollection 2021 Jun 11. ACS Pharmacol Transl Sci. 2021. PMID: 35287429 Free PMC article.
Sodium Channels and Local Anesthetics-Old Friends With New Perspectives.
Körner J, Albani S, Sudha Bhagavath Eswaran V, Roehl AB, Rossetti G, Lampert A. Körner J, et al. Among authors: albani s. Front Pharmacol. 2022 Mar 28;13:837088. doi: 10.3389/fphar.2022.837088. eCollection 2022. Front Pharmacol. 2022. PMID: 35418860 Free PMC article. Review.
Towards design of drugs and delivery systems with the Martini coarse-grained model.
Kjølbye LR, Pereira GP, Bartocci A, Pannuzzo M, Albani S, Marchetto A, Jiménez-García B, Martin J, Rossetti G, Cecchini M, Wu S, Monticelli L, Souza PCT. Kjølbye LR, et al. Among authors: albani s. QRB Discov. 2022 Oct 12;3:e19. doi: 10.1017/qrd.2022.16. eCollection 2022. QRB Discov. 2022. PMID: 37529288 Free PMC article. Review.
231 results