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Mycobacterium abscessus drug discovery using machine learning.
Schmalstig AA, Zorn KM, Murcia S, Robinson A, Savina S, Komarova E, Makarov V, Braunstein M, Ekins S. Schmalstig AA, et al. Among authors: makarov v. Tuberculosis (Edinb). 2022 Jan;132:102168. doi: 10.1016/j.tube.2022.102168. Epub 2022 Jan 20. Tuberculosis (Edinb). 2022. PMID: 35077930 Free PMC article.
2-Carboxyquinoxalines kill mycobacterium tuberculosis through noncovalent inhibition of DprE1.
Neres J, Hartkoorn RC, Chiarelli LR, Gadupudi R, Pasca MR, Mori G, Venturelli A, Savina S, Makarov V, Kolly GS, Molteni E, Binda C, Dhar N, Ferrari S, Brodin P, Delorme V, Landry V, de Jesus Lopes Ribeiro AL, Farina D, Saxena P, Pojer F, Carta A, Luciani R, Porta A, Zanoni G, De Rossi E, Costi MP, Riccardi G, Cole ST. Neres J, et al. Among authors: makarov v. ACS Chem Biol. 2015 Mar 20;10(3):705-14. doi: 10.1021/cb5007163. Epub 2014 Dec 9. ACS Chem Biol. 2015. PMID: 25427196
Thiophenecarboxamide Derivatives Activated by EthA Kill Mycobacterium tuberculosis by Inhibiting the CTP Synthetase PyrG.
Mori G, Chiarelli LR, Esposito M, Makarov V, Bellinzoni M, Hartkoorn RC, Degiacomi G, Boldrin F, Ekins S, de Jesus Lopes Ribeiro AL, Marino LB, Centárová I, Svetlíková Z, Blaško J, Kazakova E, Lepioshkin A, Barilone N, Zanoni G, Porta A, Fondi M, Fani R, Baulard AR, Mikušová K, Alzari PM, Manganelli R, de Carvalho LP, Riccardi G, Cole ST, Pasca MR. Mori G, et al. Among authors: makarov v. Chem Biol. 2015 Jul 23;22(7):917-27. doi: 10.1016/j.chembiol.2015.05.016. Epub 2015 Jun 18. Chem Biol. 2015. PMID: 26097035 Free PMC article.
A multitarget approach to drug discovery inhibiting Mycobacterium tuberculosis PyrG and PanK.
Chiarelli LR, Mori G, Orena BS, Esposito M, Lane T, de Jesus Lopes Ribeiro AL, Degiacomi G, Zemanová J, Szádocka S, Huszár S, Palčeková Z, Manfredi M, Gosetti F, Lelièvre J, Ballell L, Kazakova E, Makarov V, Marengo E, Mikusova K, Cole ST, Riccardi G, Ekins S, Pasca MR. Chiarelli LR, et al. Among authors: makarov v. Sci Rep. 2018 Feb 16;8(1):3187. doi: 10.1038/s41598-018-21614-4. Sci Rep. 2018. PMID: 29453370 Free PMC article.
New targets for HIV drug discovery.
Puhl AC, Garzino Demo A, Makarov VA, Ekins S. Puhl AC, et al. Drug Discov Today. 2019 May;24(5):1139-1147. doi: 10.1016/j.drudis.2019.03.013. Epub 2019 Mar 15. Drug Discov Today. 2019. PMID: 30885676 Free PMC article. Review.
1,058 results