title: Investigation of Optical Spectroscopic and Computational Binding Mode of Bovine Serum Albumin with 1, 4-Bis ((4-((4-Heptylpiperazin-1-yl) Methyl)-1H-1, 2, 3-Triazol-1-yl) Methyl) Benzene.
abstract: A newly synthesized 1, 4-bis ((4-((4-heptylpiperazin-1-yl) methyl)-1H-1, 2, 3-triazol-1-yl) methyl) benzene from the family of piperazine derivative has good anticancer activity, antibacterial and low toxic nature; its binding characteristics are therefore of huge interest for understanding pharmacokinetic mechanism of the drug. The binding of piperazine derivative to bovine serum albumin (BSA) was investigated using fluorescence spectroscopy. The molecular distance r between the donor (BSA) and acceptor (piperazine derivative) was estimated according to Forster's theory of nonradiative energy transfer. The physicochemical properties of piperazine derivative, which induced structural changes in BSA, have been studied by circular dichroism and those chemical environmental changes were probed using Raman spectroscopic analysis. Further, the binding dynamics was expounded by synchronous fluorescence spectroscopy and molecular modeling studies explored the hydrophobic interaction and hydrogen bonding results, which stabilize the interaction.
authors.affiliation: Department of Medical Physics, Anna University, Chennai, 600 025, India.
authors.forename: Subramani
authors.initials: S
authors.lastname: Karthikeyan
authors.affiliation: Department of Medical Physics, Anna University, Chennai, 600 025, India.
authors.forename: Shanmugavel
authors.initials: S
authors.lastname: Chinnathambi
authors.affiliation: Department of Organic Chemistry, University of Madras, Maraimalai Campus, Chennai, 600 025, India.
authors.forename: Ayyavoo
authors.initials: A
authors.lastname: Kannan
authors.affiliation: Department of Organic Chemistry, University of Madras, Maraimalai Campus, Chennai, 600 025, India.
authors.forename: Perumal
authors.initials: P
authors.lastname: Rajakumar
authors.affiliation: Bioinformatics Infrastructure Facility, University of Madras, Chennai, 600 025, India.|Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Chennai, 600 025, India.
authors.forename: Devadasan
authors.initials: D
authors.lastname: Velmurugan
authors.affiliation: Department of Medical Physics, Anna University, Chennai, 600 025, India.
authors.forename: Ganesan
authors.initials: G
authors.lastname: Bharanidharan
authors.affiliation: Department of Medical Physics, Anna University, Chennai, 600 025, India.
authors.forename: Prakasarao
authors.initials: P
authors.lastname: Aruna
authors.affiliation: Department of Medical Physics, Anna University, Chennai, 600 025, India.
authors.forename: Singaravelu
authors.initials: S
authors.lastname: Ganesan
mesh_terms: D006860:Hydrogen Bonding; D057927:Hydrophobic and Hydrophilic Interactions; D062105:Molecular Docking Simulation; D010879:Piperazines / Q000737:chemistry*; D011485:Protein Binding; D012710:Serum Albumin, Bovine / Q000737:chemistry*; D013057:Spectrum Analysis; D014230:Triazoles / Q000737:chemistry*
chemical_list: C000608078:1,4-bis((4-((4-heptylpiperazin-1-yl)methyl)-1H-1,2,3-triazol-1-yl)methyl)benzene; D010879:Piperazines; D014230:Triazoles; D012710:Serum Albumin, Bovine
keywords: Anticancer Drug; Florescence Resonance Energy Transfer; Molecular Modeling; Piperazine Derivative