title: Interaction of sulfanilamide and sulfamethoxazole with bovine serum albumin and adenine: spectroscopic and molecular docking investigations.
abstract: Interaction between sulfanilamide (SAM) and sulfamethoxazole (SMO) with BSA and DNA base (adenine) was investigated by UV-visible, fluorescence, cyclic voltammetry and molecular docking studies. Stern-Volmer fluorescence quenching constant (Ka) suggests SMO is more quenched with BSA/adenine than that of SAM. The distance r between donor (BSA/adenine) and acceptor (SAM and SMO) was obtained according to fluorescence resonance energy transfer (FRET). The results showed that hydrophobic forces, electrostatic interactions, and hydrogen bonds played vital roles in the SAM and SMO with BSA/adenine binding interaction. During the interaction, sulfa drugs could insert into the hydrophobic pocket, where the non-radioactive energy transfer from BSA/adenine to sulfa drugs occurred with high possibility. Cyclic voltammetry results suggested that when the drug concentration is increased, the anodic electrode potential deceased. The docking method indicates aniline group is interacted with the BSA molecules.
authors.affiliation: Department of Chemistry, Annamalai University, Annamalai Nagar, 608 002 Tamil Nadu, India. Electronic address: drrajendiran@rediffmail.com.
authors.forename: N
authors.initials: N
authors.lastname: Rajendiran
authors.affiliation: Department of Chemistry, Annamalai University, Annamalai Nagar, 608 002 Tamil Nadu, India.
authors.forename: J
authors.initials: J
authors.lastname: Thulasidhasan
mesh_terms: D000225:Adenine / Q000737:chemistry / Q000378:metabolism*; D000818:Animals; D001665:Binding Sites; D002417:Cattle; D055664:Electrochemical Techniques; D004735:Energy Transfer; D006860:Hydrogen Bonding; D007700:Kinetics; D008968:Molecular Conformation; D062105:Molecular Docking Simulation; D012710:Serum Albumin, Bovine / Q000378:metabolism*; D013050:Spectrometry, Fluorescence; D013056:Spectrophotometry, Ultraviolet; D055672:Static Electricity; D013420:Sulfamethoxazole / Q000737:chemistry / Q000378:metabolism*; D000077145:Sulfanilamide; D013424:Sulfanilamides / Q000737:chemistry / Q000378:metabolism*
chemical_list: D013424:Sulfanilamides; D000077145:Sulfanilamide; D012710:Serum Albumin, Bovine; D000225:Adenine; D013420:Sulfamethoxazole
keywords: Bovine serum albumin; Cyclic voltammetry; Fluorescence quenching; Molecular docking; Sulfamethoxazole; Sulfanilamide