title: Probing the interaction of troxerutin with transfer RNA by spectroscopic and molecular modeling.
abstract: The studies on the interaction between tRNA (transfer RNA) and small molecules are an area of remarkable recent attention. For this notion a fundamental knowledge of the molecular features involving the interaction of small molecules with tRNA is crucial. Hence, in the present study we have investigated the interaction of TXER (troxerutin), natural bioflavonoid rutin derivative with yeast tRNA by using various spectroscopic techniques and molecular docking studies. The UV absorption and fluorescence emission studies demonstrated external binding of TXER on tRNA with low binding constant values as compared to strong binders. Circular dichroism (CD) spectroscopy study revealed that TXER did not show any significant modification on native conformation of tRNA. Furthermore in electrochemical study, the complex of TXER-tRNA did not expose any noticeable positive potential peak shift which indicated an interaction of TXER with tRNA by electrostatic or external binding mode. The docking study showed that the hydrogen and hydrophobic interactions were involved in binding of TXER-tRNA with docking score -7.0 kcal/mol. These findings led us to confirm the interaction of TXER on tRNA through external binding with low binding affinity, indicating its potential bioapplication in the future.
authors.affiliation: Department of Biochemistry and Molecular Biology, Pondicherry University, Puducherry 605 014, India.
authors.forename: A
authors.initials: A
authors.lastname: Subastri
authors.affiliation: Department of Biochemistry and Molecular Biology, Pondicherry University, Puducherry 605 014, India.
authors.forename: C H
authors.initials: CH
authors.lastname: Ramamurthy
authors.affiliation: Department of Biochemistry and Molecular Biology, Pondicherry University, Puducherry 605 014, India.
authors.forename: A
authors.initials: A
authors.lastname: Suyavaran
authors.affiliation: Department of Biochemistry and Molecular Biology, Pondicherry University, Puducherry 605 014, India.
authors.forename: P
authors.initials: P
authors.lastname: Lokeswara Rao
authors.affiliation: Department of Biochemistry and Molecular Biology, Pondicherry University, Puducherry 605 014, India.
authors.forename: E
authors.initials: E
authors.lastname: Preedia Babu
authors.affiliation: Centre for Bioinformatics, Pondicherry University, Puducherry 605 014, India.
authors.forename: K
authors.initials: K
authors.lastname: Hari Krishna
authors.affiliation: Centre for Bioinformatics, Pondicherry University, Puducherry 605 014, India.
authors.forename: M
authors.initials: M
authors.lastname: Suresh Kumar
authors.affiliation: Department of Biochemistry and Molecular Biology, Pondicherry University, Puducherry 605 014, India. Electronic address: tchinnasamy@hotmail.com.
authors.forename: C
authors.initials: C
authors.lastname: Thirunavukkarasu
mesh_terms: D001665:Binding Sites; D002942:Circular Dichroism; D055664:Electrochemical Techniques; D057927:Hydrophobic and Hydrophilic Interactions; D006896:Hydroxyethylrutoside / Q000031:analogs & derivatives* / Q000737:chemistry / Q000378:metabolism; D062105:Molecular Docking Simulation; D009690:Nucleic Acid Conformation; D012343:RNA, Transfer / Q000737:chemistry* / Q000378:metabolism; D013050:Spectrometry, Fluorescence; D055672:Static Electricity
chemical_list: D006896:Hydroxyethylrutoside; C005865:troxerutin; D012343:RNA, Transfer
keywords: Interaction; Molecular docking; Spectroscopy; TransferRNA; Troxerutin