Yarmoluk SM - Search Results

1

Pharmacophore modeling, docking and molecular dynamics simulation for identification of novel human protein kinase C beta (PKCβ) inhibitors.

Starosyla SA, Volynets GP, Protopopov MV, Bdzhola VG, Pashevin DO, Polishchuk VO, Kozak TO, Stroi DO, Dosenko VE, Yarmoluk SM. Starosyla SA, et al. Among authors: yarmoluk sm. Struct Chem. 2023;34(3):1157-1171. doi: 10.1007/s11224-022-02075-y. Epub 2022 Oct 11. Struct Chem. 2023. PMID: 36248344 Free PMC article.

2

Probing interactions of aminoacyl-adenylate with Mycobacterium tuberculosis methionyl-tRNA synthetase through in silico site-directed mutagenesis and free energy calculation.

Volynets GP, Gudzera OI, Usenko MO, Gorbatiuk OB, Yarmoluk SM, Tukalo MA. Volynets GP, et al. Among authors: yarmoluk sm. J Biomol Struct Dyn. 2023 Aug-Sep;41(13):6450-6458. doi: 10.1080/07391102.2022.2107574. Epub 2022 Aug 5. J Biomol Struct Dyn. 2023. PMID: 35930324

3

Identification of dual-targeted Mycobacterium tuberculosis aminoacyl-tRNA synthetase inhibitors using machine learning.

Volynets GP, Usenko MO, Gudzera OI, Starosyla SA, Balanda AO, Syniugin AR, Gorbatiuk OB, Prykhod'ko AO, Bdzhola VG, Yarmoluk SM, Tukalo MA. Volynets GP, et al. Among authors: yarmoluk sm. Future Med Chem. 2022 Sep;14(17):1223-1237. doi: 10.4155/fmc-2022-0085. Epub 2022 Jul 25. Future Med Chem. 2022. PMID: 35876255

4

Identification of novel small-molecular inhibitors of Staphylococcus aureus sortase A using hybrid virtual screening.

Volynets GP, Barthels F, Hammerschmidt SJ, Moshynets OV, Lukashov SS, Starosyla SA, Vyshniakova HV, Iungin OS, Bdzhola VG, Prykhod'ko AO, Syniugin AR, Sapelkin VM, Yarmoluk SM, Schirmeister T. Volynets GP, et al. Among authors: yarmoluk sm. J Antibiot (Tokyo). 2022 Jun;75(6):321-332. doi: 10.1038/s41429-022-00524-8. Epub 2022 Apr 19. J Antibiot (Tokyo). 2022. PMID: 35440771 Free PMC article.

5

Rational Design of Hit Compounds Targeting Staphylococcus aureus Threonyl-tRNA Synthetase.

Rybak MY, Gudzera OI, Gorbatiuk OB, Usenko MO, Yarmoluk SM, Tukalo MA, Volynets GP. Rybak MY, et al. Among authors: yarmoluk sm. ACS Omega. 2021 Sep 16;6(38):24910-24918. doi: 10.1021/acsomega.1c03789. eCollection 2021 Sep 28. ACS Omega. 2021. PMID: 34604672 Free PMC article.

6

Discovery of novel antituberculosis agents among 3-phenyl-5-(1-phenyl-1H-[1,2,3]triazol-4-yl)-[1,2,4]oxadiazole derivatives targeting aminoacyl-tRNA synthetases.

Rybak MY, Balanda AO, Yatsyshyna AP, Kotey IM, Starosyla SA, Bdzhola VG, Lukash LL, Yarmoluk SM, Tukalo MA, Volynets GP. Rybak MY, et al. Among authors: yarmoluk sm. Sci Rep. 2021 Mar 30;11(1):7162. doi: 10.1038/s41598-021-86562-y. Sci Rep. 2021. PMID: 33785838 Free PMC article.

7

Flavone inspired discovery of benzylidenebenzofuran-3(2H)-ones (aurones) as potent inhibitors of human protein kinase CK2.

Protopopov MV, Vdovin VS, Starosyla SA, Borysenko IP, Prykhod'ko AO, Lukashov SS, Bilokin YV, Bdzhola VG, Yarmoluk SM. Protopopov MV, et al. Among authors: yarmoluk sm. Bioorg Chem. 2020 Sep;102:104062. doi: 10.1016/j.bioorg.2020.104062. Epub 2020 Jun 30. Bioorg Chem. 2020. PMID: 32683178

8

Novel isoniazid derivative as promising antituberculosis agent.

Volynets GP, Tukalo MA, Bdzhola VG, Derkach NM, Gumeniuk MI, Tarnavskiy SS, Yarmoluk SM. Volynets GP, et al. Among authors: yarmoluk sm. Future Microbiol. 2020 Jul;15(10):869-879. doi: 10.2217/fmb-2019-0085. Epub 2020 Jul 14. Future Microbiol. 2020. PMID: 32662670 Free PMC article.

9

Dual-target inhibitors of mycobacterial aminoacyl-tRNA synthetases among N-benzylidene-N'-thiazol-2-yl-hydrazines.

Kovalenko OP, Volynets GP, Rybak MY, Starosyla SA, Gudzera OI, Lukashov SS, Bdzhola VG, Yarmoluk SM, Boshoff HI, Tukalo MA. Kovalenko OP, et al. Among authors: yarmoluk sm. Medchemcomm. 2019 Nov 28;10(12):2161-2169. doi: 10.1039/c9md00347a. eCollection 2019 Dec 1. Medchemcomm. 2019. PMID: 32206244 Free PMC article.

10

Dual-targeted hit identification using pharmacophore screening.

Volynets GP, Starosyla SA, Rybak MY, Bdzhola VG, Kovalenko OP, Vdovin VS, Yarmoluk SM, Tukalo MA. Volynets GP, et al. Among authors: yarmoluk sm. J Comput Aided Mol Des. 2019 Nov;33(11):955-964. doi: 10.1007/s10822-019-00245-5. Epub 2019 Nov 6. J Comput Aided Mol Des. 2019. PMID: 31691918

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