Synthesis, QSAR modeling, and molecular docking of novel fused 7-deazaxanthine derivatives as adenosine A 2A receptor antagonists.

Autor: Muzychka LV; Department of Chemistry of Natural Compounds, V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, NAS of Ukraine, Kyiv, Ukraine., Verves EV; Department of Chemistry of Natural Compounds, V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, NAS of Ukraine, Kyiv, Ukraine.; Enamine Ltd, Kyiv, Ukraine., Yaremchuk IO; Department of Chemistry of Natural Compounds, V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, NAS of Ukraine, Kyiv, Ukraine., Zinchenko AM; Department of Chemistry of Natural Compounds, V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, NAS of Ukraine, Kyiv, Ukraine., Shishkina SV; Department of X-ray Diffraction Studies and Quantum Chemistry, STC 'Institute for Single Crystals', NAS of Ukraine, Kharkiv, Ukraine., Semenyuta IV; Department of Medical and Biological Researches, V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, NAS of Ukraine, Kyiv, Ukraine., Hodyna DM; Department of Medical and Biological Researches, V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, NAS of Ukraine, Kyiv, Ukraine., Metelytsia LO; Department of Medical and Biological Researches, V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, NAS of Ukraine, Kyiv, Ukraine., Kovalishyn V; Department of Medical and Biological Researches, V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, NAS of Ukraine, Kyiv, Ukraine., Smolii OB; Department of Chemistry of Natural Compounds, V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, NAS of Ukraine, Kyiv, Ukraine.

Publikováno v: Chemical biology & drug design [Chem Biol Drug Des] 2022 Dec; Vol. 100 (6), pp. 1025-1032. Date of Electronic Publication: 2021 Oct 19.

1,3-Oxazole derivatives of cytisine as potential inhibitors of glutathione reductase of Candida spp.: QSAR modeling, docking analysis and experimental study of new anti-Candida agents.

Autor: Metelytsia LO; V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Sciences of Ukraine, 02094, Kyiv-94, Murmanska Str,1, Kyiv, Ukraine., Trush MM; V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Sciences of Ukraine, 02094, Kyiv-94, Murmanska Str,1, Kyiv, Ukraine., Kovalishyn VV; V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Sciences of Ukraine, 02094, Kyiv-94, Murmanska Str,1, Kyiv, Ukraine., Hodyna DM; V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Sciences of Ukraine, 02094, Kyiv-94, Murmanska Str,1, Kyiv, Ukraine., Kachaeva MV; V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Sciences of Ukraine, 02094, Kyiv-94, Murmanska Str,1, Kyiv, Ukraine., Brovarets VS; V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Sciences of Ukraine, 02094, Kyiv-94, Murmanska Str,1, Kyiv, Ukraine., Pilyo SG; V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Sciences of Ukraine, 02094, Kyiv-94, Murmanska Str,1, Kyiv, Ukraine., Sukhoveev VV; Nizhyn Mykola Gogol State University, 16600, Grafska Str. 2, Nizhyn, Chernihivska Oblast, Ukraine., Tsyhankov SA; Nizhyn Mykola Gogol State University, 16600, Grafska Str. 2, Nizhyn, Chernihivska Oblast, Ukraine., Blagodatnyi VM; P.L. Shupyk National Medical Academy of Postgraduate Education, 04112, Dorogozhytska Str, 9, Kyiv, Ukraine., Semenyuta IV; V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Sciences of Ukraine, 02094, Kyiv-94, Murmanska Str,1, Kyiv, Ukraine. Electronic address: ivan@bpci.kiev.ua.

Publikováno v: Computational biology and chemistry [Comput Biol Chem] 2021 Feb; Vol. 90, pp. 107407. Date of Electronic Publication: 2020 Nov 05.

In silico study of 4-phosphorylated derivatives of 1,3-oxazole as inhibitors of Candida albicans fructose-1,6-bisphosphate aldolase II.

Autor: Semenyuta IV; Department of Medical and Biological Researches, V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry of the National Academy of Sciences of Ukraine, Kyiv, Ukraine., Kobzar OL; Department of Bioorganic Mechanisms, V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry of the National Academy of Sciences of Ukraine, Kyiv, Ukraine., Hodyna DM; Department of Medical and Biological Researches, V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry of the National Academy of Sciences of Ukraine, Kyiv, Ukraine., Brovarets VS; Department of Chemistry of Bioactive Nitrogen Containing Heterocyclic Bases, V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry of the National Academy of Sciences of Ukraine, Kyiv, Ukraine., Metelytsia LO; Department of Medical and Biological Researches, V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry of the National Academy of Sciences of Ukraine, Kyiv, Ukraine.

Publikováno v: Heliyon [Heliyon] 2019 Apr 10; Vol. 5 (4), pp. e01462. Date of Electronic Publication: 2019 Apr 10 (Print Publication: 2019).

QSAR studies and antimicrobial potential of 1,3-thiazolylphosphonium salts.

Autor: Trush MM, Kovalishyn VV, Blagodatnyi VM, Brovarets VS, Pilyo SG, Prokopenko VM, Hodyna DM, Metelytsia LO

Publikováno v: Ukrainian biochemical journal [Ukr Biochem J] 2016 Jul-Aug; Vol. 88 (4), pp. 57-65.