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Items: 6

1.

Using DFT methodology for more reliable predictive models: Design of inhibitors of Golgi α-Mannosidase II.

Bobovská A, Tvaroška I, Kóňa J.

J Mol Graph Model. 2016 May;66:47-57. doi: 10.1016/j.jmgm.2016.03.004. Epub 2016 Mar 18.

PMID:
27035259
2.

DprE1 Is a Vulnerable Tuberculosis Drug Target Due to Its Cell Wall Localization.

Brecik M, Centárová I, Mukherjee R, Kolly GS, Huszár S, Bobovská A, Kilacsková E, Mokošová V, Svetlíková Z, Šarkan M, Neres J, Korduláková J, Cole ST, Mikušová K.

ACS Chem Biol. 2015 Jul 17;10(7):1631-6. doi: 10.1021/acschembio.5b00237. Epub 2015 Apr 29.

PMID:
25906160
3.

Theoretical study of enzymatic catalysis explains why the trapped covalent intermediate in the E303C mutant of glycosyltransferase GTB was not detected in the wild-type enzyme.

Bobovská A, Tvaroška I, Kóňa J.

Glycobiology. 2015 Jan;25(1):3-7. doi: 10.1093/glycob/cwu085. Epub 2014 Aug 18.

PMID:
25138306
4.

A theoretical study on the catalytic mechanism of the retaining α-1,2-mannosyltransferase Kre2p/Mnt1p: the impact of different metal ions on catalysis.

Bobovská A, Tvaroška I, Kóňa J.

Org Biomol Chem. 2014 Jun 28;12(24):4201-10. doi: 10.1039/c4ob00286e.

PMID:
24831692
5.

Benzothiazinones are suicide inhibitors of mycobacterial decaprenylphosphoryl-β-D-ribofuranose 2'-oxidase DprE1.

Trefzer C, Škovierová H, Buroni S, Bobovská A, Nenci S, Molteni E, Pojer F, Pasca MR, Makarov V, Cole ST, Riccardi G, Mikušová K, Johnsson K.

J Am Chem Soc. 2012 Jan 18;134(2):912-5. doi: 10.1021/ja211042r. Epub 2011 Dec 21.

PMID:
22188377
6.

Benzothiazinones kill Mycobacterium tuberculosis by blocking arabinan synthesis.

Makarov V, Manina G, Mikusova K, Möllmann U, Ryabova O, Saint-Joanis B, Dhar N, Pasca MR, Buroni S, Lucarelli AP, Milano A, De Rossi E, Belanova M, Bobovska A, Dianiskova P, Kordulakova J, Sala C, Fullam E, Schneider P, McKinney JD, Brodin P, Christophe T, Waddell S, Butcher P, Albrethsen J, Rosenkrands I, Brosch R, Nandi V, Bharath S, Gaonkar S, Shandil RK, Balasubramanian V, Balganesh T, Tyagi S, Grosset J, Riccardi G, Cole ST.

Science. 2009 May 8;324(5928):801-4. doi: 10.1126/science.1171583. Epub 2009 Mar 19.

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