title: Synthesis, antimicrobial, cytotoxic and E. coli DNA gyrase inhibitory activities of coumarinyl amino alcohols.
abstract: Here we report the in vitro antimicrobial activity (minimum inhibitory concentration) of fourteen coumarinyl amino alcohols 2-16 against eight bacterial strains and two fungi. Among these compounds 4, 8, 12, 15 and 16 showed moderate to good microbial inhibition with MIC values varied from 6.25 to 25μg/mL. The most promising compounds were also evaluated for their in vitro cytotoxic and E. coli DNA gyrase inhibitory activities along with the two 7-oxy-4-methyl coumarinyl amino alcohol derivatives 17 and 18, which were found to be the most potent in in vitro antimicrobial screening in our previous study. All the active compounds, including 17 and 18, were also docked into the E. coli DNA gyrase ATP binding site (PDB ID: 1KZN) to investigate their binding interactions. Of these compound 17 has shown maximum binding energy value of -6.13kcal/mol.
authors.affiliation: Department of Chemistry, MMV, Banaras Hindu University, Varanasi 221005, India.
authors.lastname: Priyanka
authors.affiliation: Department of Biotechnology, Institute of Engineering and Technology, Lucknow 226021, India.
authors.forename: Vineeta
authors.initials: V
authors.lastname: Singh
authors.affiliation: Department of Bioinformatics, MMV, Banaras Hindu University, Varanasi 221005, India.
authors.lastname: Ekta
authors.affiliation: Department of Chemistry, MMV, Banaras Hindu University, Varanasi 221005, India. Electronic address: dikshakatiyar@gmail.com.
authors.forename: Diksha
authors.initials: D
authors.lastname: Katiyar
mesh_terms: D000605:Amino Alcohols / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D000900:Anti-Bacterial Agents / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology; D000890:Anti-Infective Agents / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D001419:Bacteria / Q000187:drug effects / Q000201:enzymology; D001424:Bacterial Infections / Q000188:drug therapy / Q000382:microbiology; D003374:Coumarins / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology; D027081:DNA Gyrase / Q000378:metabolism*; D004926:Escherichia coli / Q000187:drug effects / Q000201:enzymology*; D004927:Escherichia coli Infections / Q000188:drug therapy / Q000382:microbiology; D005658:Fungi / Q000187:drug effects / Q000201:enzymology; D006801:Humans; D008826:Microbial Sensitivity Tests; D008958:Models, Molecular; D009181:Mycoses / Q000188:drug therapy / Q000382:microbiology; D059005:Topoisomerase II Inhibitors / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*
chemical_list: D000605:Amino Alcohols; D000900:Anti-Bacterial Agents; D000890:Anti-Infective Agents; D003374:Coumarins; D059005:Topoisomerase II Inhibitors; D027081:DNA Gyrase
keywords: Antibacterial; Coumarins; Gram negative; Gyrase