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Design of (quinolin-4-ylthio)carboxylic acids as new Escherichia coli DNA gyrase B inhibitors: machine learning studies, molecular docking, synthesis and biological testing.
Metelytsia, Larysa; Hodyna, Diana; Dobrodub, Inga; Semenyuta, Ivan; Zavhorodnii, Mikhail; Blagodatny, Volodymyr; Kovalishyn, Vasyl; Brazhko, Oleksandr.
Affiliation
  • Metelytsia L; V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Sciences of Ukraine, 02094, Kyiv-94, Murmanska Str,1, Kyiv, Ukraine.
  • Hodyna D; 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: dianahodyna@gmail.com.
  • Dobrodub I; Zaporizhzhya National University, Faculty of Biology, 69095, Zhukovs'ky Str. 66, Zaporizhzhya, Ukraine.
  • Semenyuta I; V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Sciences of Ukraine, 02094, Kyiv-94, Murmanska Str,1, Kyiv, Ukraine.
  • Zavhorodnii M; Zaporizhzhya National University, Faculty of Biology, 69095, Zhukovs'ky Str. 66, Zaporizhzhya, Ukraine.
  • Blagodatny V; P.L. Shupyk National Medical Academy of Postgraduate Education, 04112, Dorogozhytska Str, 9, Kyiv, Ukraine.
  • Kovalishyn V; V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry, National Academy of Sciences of Ukraine, 02094, Kyiv-94, Murmanska Str,1, Kyiv, Ukraine.
  • Brazhko O; Zaporizhzhya National University, Faculty of Biology, 69095, Zhukovs'ky Str. 66, Zaporizhzhya, Ukraine.
Comput Biol Chem ; 85: 107224, 2020 Apr.
Article in En | MEDLINE | ID: mdl-32018168
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Quinolines / Drug Design / DNA Gyrase / Escherichia coli / Topoisomerase II Inhibitors / Molecular Docking Simulation / Machine Learning / Anti-Bacterial Agents Type of study: Prognostic_studies Language: En Journal: Comput Biol Chem Journal subject: BIOLOGIA / INFORMATICA MEDICA / QUIMICA Year: 2020 Document type: Article Affiliation country: Ukraine Country of publication: United kingdom
Fulltext
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Quinolines / Drug Design / DNA Gyrase / Escherichia coli / Topoisomerase II Inhibitors / Molecular Docking Simulation / Machine Learning / Anti-Bacterial Agents Type of study: Prognostic_studies Language: En Journal: Comput Biol Chem Journal subject: BIOLOGIA / INFORMATICA MEDICA / QUIMICA Year: 2020 Document type: Article Affiliation country: Ukraine Country of publication: United kingdom