title: Molecular docking studies and synthesis of novel bisbenzimidazole derivatives as inhibitors of α-glucosidase.
abstract: A series of bisbenzimidazole derivatives starting from o-phenylenediamine and 4-nitro-o-phenylenediamine were prepared with oxalic acid. Most of the reactions were conducted using both the microwave and conventional methods to compare yields and reaction times. The operational simplicity, environmental friendly conditions and high yield in a significantly short reaction time were the major benefits. All substances' inhibitory activities against α-glucosidase were evaluated. The results may suggest a significant role for the nature of bisbenzimidazole compounds in their inhibitory action against α-glucosidase. They showed different range of α-glucosidase inhibitory potential with IC50value ranging between 0.44±0.04 and 6.69±0.01μM when compared to the standard acarbose (IC50, 13.34±1.26μM). This has described a new class of α-glucosidase inhibitors. Molecular docking studies were done for all compounds to identify important binding modes responsible for inhibition activity of α-glucosidase.
authors: Department of Chemistry, Recep Tayyip Erdogan University, 53100 Rize, Turkey. Electronic address: musa.ozil@erdogan.edu.tr.
authors: Musa
authors: M
authors: Özil
authors: Department of Chemistry, Recep Tayyip Erdogan University, 53100 Rize, Turkey.
authors: Mustafa
authors: M
authors: Emirik
authors: Department of Chemistry, Recep Tayyip Erdogan University, 53100 Rize, Turkey.
authors: Ali
authors: A
authors: Beldüz
authors: Department of Biology, Recep Tayyip Erdogan University, 53100 Rize, Turkey.
authors: Serdar
authors: S
authors: Ülker
mesh_terms: D006690:Bisbenzimidazole / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D004305:Dose-Response Relationship, Drug; D065089:Glycoside Hydrolase Inhibitors / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D006801:Humans; D007422:Intestines / Q000201:enzymology; D062105:Molecular Docking Simulation; D015394:Molecular Structure; D013329:Structure-Activity Relationship; D000520:alpha-Glucosidases / Q000378:metabolism*
chemical_list: D065089:Glycoside Hydrolase Inhibitors; D000520:alpha-Glucosidases; D006690:Bisbenzimidazole
keywords: Bisbenzimidazole; Docking; Microwave; α-Glucosidase