title: Interaction of plant pigment brazilin with synthetic and natural DNA: spectroscopic and in silico perspective.
abstract: The interactions between the molecules and DNA shape up an avenue for DNA targeted therapeutics. For the first time, brazilin, a major component of Caesalpinia sappan L., has been investigated for its interaction with natural and synthetic DNA. Detailed analyses of the binding property of brazilin dye with DNA by UV-vis, FTIR and Circular Dichroism were carried out. In addition, in silico studies have been conducted via tools of energy minimization and ligand optimization using Yasara and Argus Lab softwares along with the molecular docking server integrating Auto Dock, Mavin and Mopac. Results show that brazilin dye has commendable proficiency in being moulded as a binder with DNA. The specificity of the dye to stain nuclei in tissue sections positively indicates its interaction with nucleic acid. As the intracellular target for the majority of anticancer and antibiotic drugs is DNA, the study on the interaction between molecules like brazilin and DNA has great significance and implications in several biological applications.
authors.affiliation: School of Bio Sciences and Technology, VIT University, Vellore, 632014, Tamil Nadu, India.
authors.forename: Dipita
authors.initials: D
authors.lastname: Bhakta
authors.forename: Sajitha
authors.initials: S
authors.lastname: Lulu
authors.forename: G
authors.initials: G
authors.lastname: Jayaraman
authors.forename: S
authors.initials: S
authors.lastname: Babu
authors.forename: Ramamoorthy
authors.initials: R
authors.lastname: Siva
mesh_terms: D001578:Benzopyrans / Q000032:analysis / Q000737:chemistry / Q000378:metabolism*; D029911:Caesalpinia / Q000737:chemistry*; D002942:Circular Dichroism; D004396:Coloring Agents / Q000032:analysis / Q000737:chemistry / Q000378:metabolism*; D004247:DNA / Q000378:metabolism*; D055808:Drug Discovery / Q000379:methods*; D008958:Models, Molecular; D015394:Molecular Structure; D011485:Protein Binding; D013056:Spectrophotometry, Ultraviolet; D017550:Spectroscopy, Fourier Transform Infrared
chemical_list: D001578:Benzopyrans; D004396:Coloring Agents; D004247:DNA; C044362:brazilin