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CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson's Disease Associated Protein.
Li F, Ackloo S, Arrowsmith CH, Ban F, Barden CJ, Beck H, Beránek J, Berenger F, Bolotokova A, Bret G, Breznik M, Carosati E, Chau I, Chen Y, Cherkasov A, Corte DD, Denzinger K, Dong A, Draga S, Dunn I, Edfeldt K, Edwards A, Eguida M, Eisenhuth P, Friedrich L, Fuerll A, Gardiner SS, Gentile F, Ghiabi P, Gibson E, Glavatskikh M, Gorgulla C, Guenther J, Gunnarsson A, Gusev F, Gutkin E, Halabelian L, Harding RJ, Hillisch A, Hoffer L, Hogner A, Houliston S, Irwin JJ, Isayev O, Ivanova A, Jacquemard C, Jarrett AJ, Jensen JH, Kireev D, Kleber J, Koby SB, Koes D, Kumar A, Kurnikova MG, Kutlushina A, Lessel U, Liessmann F, Liu S, Lu W, Meiler J, Mettu A, Minibaeva G, Moretti R, Morris CJ, Narangoda C, Noonan T, Obendorf L, Pach S, Pandit A, Perveen S, Poda G, Polishchuk P, Puls K, Pütter V, Rognan D, Roskams-Edris D, Schindler C, Sindt F, Spiwok V, Steinmann C, Stevens RL, Talagayev V, Tingey D, Vu O, Walters WP, Wang X, Wang Z, Wolber G, Wolf CA, Wortmann L, Zeng H, Zepeda CA, Zhang KYJ, Zhang J, Zheng S, Schapira M. Li F, et al. Among authors: ivanova a. J Chem Inf Model. 2024 Nov 25;64(22):8521-8536. doi: 10.1021/acs.jcim.4c01267. Epub 2024 Nov 5. J Chem Inf Model. 2024. PMID: 39499532
EasyDock: customizable and scalable docking tool.
Minibaeva G, Ivanova A, Polishchuk P. Minibaeva G, et al. Among authors: ivanova a. J Cheminform. 2023 Nov 1;15(1):102. doi: 10.1186/s13321-023-00772-2. J Cheminform. 2023. PMID: 37915072 Free PMC article.
Click estradiol dimers with novel aromatic bridging units: synthesis and anticancer evaluation.
Řehulka J, Jurášek M, Dráber P, Ivanová A, Gurská S, Ječmeňová K, Mokshyna O, Hajdúch M, Polishchuk P, Drašar PB, Džubák P. Řehulka J, et al. Among authors: ivanova a. J Enzyme Inhib Med Chem. 2024 Dec;39(1):2367139. doi: 10.1080/14756366.2024.2367139. Epub 2024 Jun 21. J Enzyme Inhib Med Chem. 2024. PMID: 38904149 Free PMC article.
Triazole-based estradiol dimers prepared via CuAAC from 17α-ethinyl estradiol with five-atom linkers causing G2/M arrest and tubulin inhibition.
Jurášek M, Řehulka J, Hrubá L, Ivanová A, Gurská S, Mokshyna O, Trousil P, Huml L, Polishchuk P, Hajdúch M, Drašar PB, Džubák P. Jurášek M, et al. Among authors: ivanova a. Bioorg Chem. 2023 Feb;131:106334. doi: 10.1016/j.bioorg.2022.106334. Epub 2022 Dec 23. Bioorg Chem. 2023. PMID: 36592487 Free article.
Anticancer 5-arylidene-2-(4-hydroxyphenyl)aminothiazol-4(5H)-ones as tubulin inhibitors.
Rehulka J, Subtelna I, Kryshchyshyn-Dylevych A, Cherniienko A, Ivanova A, Matveieva M, Polishchuk P, Gurska S, Hajduch M, Zagrijtschuk O, Dzubak P, Lesyk R. Rehulka J, et al. Among authors: ivanova a. Arch Pharm (Weinheim). 2022 Dec;355(12):e2200419. doi: 10.1002/ardp.202200419. Epub 2022 Sep 15. Arch Pharm (Weinheim). 2022. PMID: 36109178
1,231 results