title: Spectroscopic and molecular docking studies on the interaction of human serum albumin with copper(II) complexes.
abstract: Two osazone based ligands, butane-2,3-dione bis(2'-pyridylhydrazone) (BDBPH) and hexane-3,4-dione bis(2'-pyridylhydrazone) (HDBPH), were synthesized out of the 2:1M Schiff base condensation of 2-hydrazino pyridine respectively with 2,3-butanedione and 3,4-hexanedione. The X-ray crystal structures of both the ligands have been determined. The copper(II) complex of HDBPH has also been synthesized and structurally characterized. HDBPH and its copper(II) complex have thoroughly been characterized through various spectroscopic and analytical techniques. The X-ray crystal structure of the copper complex of HDBPH shows that it is a monomeric Cu(II) complex having 'N4O2' co-ordination chromophore. Interaction of human serum albumin (HSA) with these ligands and their monomeric copper(II) complexes have been studied by various spectroscopic means. The experimental findings show that the ligands as well as their copper complexes are good HSA binders. Molecular docking investigations have also been done to unravel the mode of binding of the species with HSA.
authors: Department of Chemistry, Jadavpur University, Kolkata, 700032, India.
authors: Bhargab
authors: B
authors: Guhathakurta
authors: Department of Chemistry, Jadavpur University, Kolkata, 700032, India.
authors: Ankur Bikash
authors: AB
authors: Pradhan
authors: Department of Chemistry, Jadavpur University, Kolkata, 700032, India.
authors: Suman
authors: S
authors: Das
authors: Department of Chemistry, Jadavpur University, Kolkata, 700032, India.
authors: Nirmalya
authors: N
authors: Bandyopadhyay
authors: Institute of Molecular Science, Key Laboratory of Chemical Biology and Molecular Engineering of the Education Ministry, Shanxi University, 92 Wucheng Road, Taiyuan, Shanxi 030006, People's Republic of China.
authors: Liping
authors: L
authors: Lu
authors: Institute of Molecular Science, Key Laboratory of Chemical Biology and Molecular Engineering of the Education Ministry, Shanxi University, 92 Wucheng Road, Taiyuan, Shanxi 030006, People's Republic of China.
authors: Miaoli
authors: M
authors: Zhu
authors: Department of Chemistry, Jadavpur University, Kolkata, 700032, India. Electronic address: jpnaskar@rediffmail.com.
authors: Jnan Prakash
authors: JP
authors: Naskar
mesh_terms: D003300:Copper / Q000737:chemistry*; D006801:Humans; D062105:Molecular Docking Simulation; D000075462:Serum Albumin, Human / Q000737:chemistry*; D013057:Spectrum Analysis
chemical_list: D003300:Copper; D000075462:Serum Albumin, Human
keywords: Copper; Crystal structure; HSA binding; Molecular docking; Osazone