TY - GEN AU - Metelytsia,Larysa AU - Hodyna,Diana AU - Dobrodub,Inga AU - Semenyuta,Ivan AU - Zavhorodnii,Mikhail AU - Blagodatny,Volodymyr AU - Kovalishyn,Vasyl AU - Brazhko,Oleksandr TI - Design of (quinolin-4-ylthio)carboxylic acids as new Escherichia coli DNA gyrase B inhibitors: machine learning studies, molecular docking, synthesis and biological testing SN - 1476-928X PY - 2021///0106 KW - Anti-Bacterial Agents KW - chemical synthesis KW - Computational Biology KW - DNA Gyrase KW - metabolism KW - Drug Design KW - Escherichia coli KW - drug effects KW - Machine Learning KW - Microbial Sensitivity Tests KW - Molecular Docking Simulation KW - Molecular Structure KW - Quantitative Structure-Activity Relationship KW - Quinolines KW - Topoisomerase II Inhibitors N1 - Publication Type: Journal Article UR - https://doi.org/10.1016/j.compbiolchem.2020.107224 ER -