title: Synthesis and evaluation of indole-based new scaffolds for antimicrobial activities--identification of promising candidates.
abstract: Search for new antimicrobial agents led to the synthesis of series of N-1, C-3 and C-5 substituted bis-indoles. Their evaluation for antifungal and antibacterial activities resulted in the optimization of pyrrolidine/morpholine/N-benzyl moiety at the C-3 end and propane/butane/xylidine groups as linkers between two indoles for significant inhibition of microbial growth. Preliminary investigations have identified three highly potent antimicrobial agents. Dockings of these molecules in the active sites of lanosterol demethylase, dihydrofolate reductase and topoisomerase II indicate their strong interactions with these enzymes.
authors.affiliation: Department of Chemistry, Guru Nanak Dev University, Amritsar 143 005, India. palwinder_singh_2000@yahoo.com
authors.forename: Palwinder
authors.initials: P
authors.lastname: Singh
authors.forename: Pooja
authors.initials: P
authors.lastname: Verma
authors.forename: Puja
authors.initials: P
authors.lastname: Verma
authors.forename: Bhawna
authors.initials: B
authors.lastname: Yadav
authors.forename: Sneha S
authors.initials: SS
authors.lastname: Komath
mesh_terms: D000890:Anti-Infective Agents / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D020134:Catalytic Domain; D004250:DNA Topoisomerases, Type II / Q000737:chemistry; D004926:Escherichia coli / Q000187:drug effects*; D007211:Indoles / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D020128:Inhibitory Concentration 50; D008826:Microbial Sensitivity Tests; D008958:Models, Molecular; D015394:Molecular Structure; D058886:Sterol 14-Demethylase / Q000737:chemistry; D013762:Tetrahydrofolate Dehydrogenase / Q000737:chemistry
chemical_list: D000890:Anti-Infective Agents; D007211:Indoles; D058886:Sterol 14-Demethylase; D013762:Tetrahydrofolate Dehydrogenase; D004250:DNA Topoisomerases, Type II