title: Novel 1,5,7-trihydroxy-3-hydroxy methyl anthraquinone isolated from terrestrial Streptomyces sp. (eri-26) with antimicrobial and molecular docking studies.
abstract: Streptomyces sp. isolate ERI-26 was obtained from the Nilgiris forest soil of Western Ghats, Tamil Nadu, India. Novel anthraquinone compound was isolated from the active fraction 5; it was identified by spectroscopical data using UV, IR, NMR and MASS. The isolated compound 1,5,7-trihydroxy-3-hydroxy methyl anthraquinone was tested against bacteria and fungi at minimum inhibitory concentration level. The compound showed significant antimicrobial activity against bacteria, Staphylococcus aureus at 125 μg/ml, Staphylococcus epidermidis at 62.5 μg/m, Bacillus subtilis at 31.25 μg/ml, fungi; Epidermophyton floccosum at 62.5 μg/ml, Aspergillus niger at 31.25 μg/ml, Aspergiller flavus at 31.25 μg/ml, Trichophyton rubrum at 62.5 μg/ml and Botrytis cinerea at 62.5 μg/ml. The isolated compound was subjected to molecular docking studies for the inhibition of TtgR, topoisomerase IV and AmpC β-lactamase enzymes which are targets for antimicrobials. Docking studies of the compound showed low docking energy indicating its usefulness as antimicrobial agent. 1,5,7-Trihydroxy-3-hydroxy methyl anthraquinone is new, and its antimicrobial and molecular docking properties are reported for the first time.
authors.affiliation: Department of Botany and Microbiology, College of Science, King Saud University, Riyadh-11451, Saudi Arabia, avdpandiyan@yahoo.co.in.
authors.forename: V
authors.initials: V
authors.lastname: Duraipandiyan
authors.forename: N A
authors.initials: NA
authors.lastname: Al-Dhabi
authors.forename: C
authors.initials: C
authors.lastname: Balachandran
authors.forename: M Karunai
authors.initials: MK
authors.lastname: Raj
authors.forename: M Valan
authors.initials: MV
authors.lastname: Arasu
authors.forename: S
authors.initials: S
authors.lastname: Ignacimuthu
mesh_terms: D000880:Anthraquinones / Q000737:chemistry* / Q000302:isolation & purification / Q000494:pharmacology*; D000890:Anti-Infective Agents; D018407:Bacterial Physiological Phenomena / Q000187:drug effects*; D001426:Bacterial Proteins / Q000037:antagonists & inhibitors* / Q000648:ultrastructure; D001665:Binding Sites; D002470:Cell Survival / Q000187:drug effects; D003198:Computer Simulation; D027101:DNA Topoisomerase IV / Q000037:antagonists & inhibitors* / Q000648:ultrastructure; D005658:Fungi / Q000187:drug effects / Q000502:physiology*; D062105:Molecular Docking Simulation; D011485:Protein Binding; D012988:Soil Microbiology; D013045:Species Specificity; D013302:Streptomyces / Q000145:classification / Q000378:metabolism*; D001618:beta-Lactamases / Q000648:ultrastructure
chemical_list: D000880:Anthraquinones; D000890:Anti-Infective Agents; D001426:Bacterial Proteins; C048795:AmpC beta-lactamases; D001618:beta-Lactamases; D027101:DNA Topoisomerase IV