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Integrated approach to elucidate metal-implant related adverse outcome pathways.
Beasley JT, Korn DR, Popov KI, Dumproff RL, Sessions ZL, Rath MK, Alves VM, Causey K, Rua D, Muratov EN, Tropsha A. Beasley JT, et al. Among authors: muratov en. Regul Toxicol Pharmacol. 2022 Dec;136:105277. doi: 10.1016/j.yrtph.2022.105277. Epub 2022 Oct 23. Regul Toxicol Pharmacol. 2022. PMID: 36288772
Heli-SMACC: Helicase-targeting SMAll Molecule Compound Collection.
Martin HJ, Hossain MA, Wellnitz J, Kelestemur E, Hochuli JE, Parveen S, Arrowsmith C, Willson TM, Muratov E, Tropsha A. Martin HJ, et al. bioRxiv [Preprint]. 2024 Jul 8:2024.07.04.602122. doi: 10.1101/2024.07.04.602122. bioRxiv. 2024. PMID: 39026851 Free PMC article. Preprint.
Dona Flor and her two husbands: Discovery of novel HDAC6/AKT2 inhibitors for myeloid cancer treatment.
Waitman KB, Martin HJ, Carlos JAEG, Braga RC, Souza VAM, Melo-Filho CC, Hilscher S, Toledo MFZJ, Tavares MT, Costa-Lotufo LV, Machado-Neto JA, Schutkowski M, Sippl W, Kronenberger T, Alves VM, Parise-Filho R, Muratov EN. Waitman KB, et al. Among authors: muratov en. bioRxiv [Preprint]. 2024 Dec 5:2024.11.30.626092. doi: 10.1101/2024.11.30.626092. bioRxiv. 2024. PMID: 39677737 Free PMC article. Preprint.
Tuning HERG out: antitarget QSAR models for drug development.
Braga RC, Alves VM, Silva MF, Muratov E, Fourches D, Tropsha A, Andrade CH. Braga RC, et al. Curr Top Med Chem. 2014;14(11):1399-415. doi: 10.2174/1568026614666140506124442. Curr Top Med Chem. 2014. PMID: 24805060 Free PMC article.
Open drug discovery for the Zika virus.
Ekins S, Mietchen D, Coffee M, Stratton TP, Freundlich JS, Freitas-Junior L, Muratov E, Siqueira-Neto J, Williams AJ, Andrade C. Ekins S, et al. F1000Res. 2016 Feb 9;5:150. doi: 10.12688/f1000research.8013.1. eCollection 2016. F1000Res. 2016. PMID: 27134728 Free PMC article.
QSAR-Driven Discovery of Novel Chemical Scaffolds Active against Schistosoma mansoni.
Melo-Filho CC, Dantas RF, Braga RC, Neves BJ, Senger MR, Valente WC, Rezende-Neto JM, Chaves WT, Muratov EN, Paveley RA, Furnham N, Kamentsky L, Carpenter AE, Silva-Junior FP, Andrade CH. Melo-Filho CC, et al. Among authors: muratov en. J Chem Inf Model. 2016 Jul 25;56(7):1357-72. doi: 10.1021/acs.jcim.6b00055. Epub 2016 Jun 16. J Chem Inf Model. 2016. PMID: 27253773 Free PMC article.
146 results