Synthesis, spectral properties, in vitro α‐glucosidase inhibitory activity and quantum chemical calculations of novel mixed‐ligand M(II) complexes containing 1, 10‐phenanthroline. (22nd January 2020)

• Record Type: Journal Article
• Authors: Avcı, Davut; Altürk, Sümeyye; Sönmez, Fatih; Tamer, Ömer; Başoğlu, Adil; Atalay, Yusuf; Kurt, Belma Zengin; Dege, Necmi
• Is Part Of: Applied organometallic chemistry. Volume 34:Number 4(2020)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2020-01-22
• Subjects: 1, 10‐phenanthroline and 6‐methylpyridine‐2‐carboxylic acid -- DFT//HSEh1PBE -- docking -- XRD, spectral analysis -- α‐glucosidase; Organometallic chemistry -- Periodicals; Organometallic compounds -- Periodicals; 547.05
• DOI: 10.1002/aoc.5412
• Languages: English
• ISSNs: 0268-2605

Abstract

Abstract : A series of mixed‐ligand M(II) complexes containing 1, 10‐phenanthroline (phen) and 3‐methylpyridine‐2‐carboxylic acid (3‐mpaH) or 6‐methylpyridine‐2‐carboxylic acid (6‐mpaH), namely [Co(3‐mpa)2 (phen)]·3H2 O (1 ), [Hg(6‐mpa)2 (phen)]·2H2 O (2 ), [Mn(6‐mpa)2 (phen)]·2H2 O (3 ), [Co(6‐mpa)2 (phen)]·H2 O (4 ) and [Ni(6‐mpa)2 (phen)]·H2 O (5 ), were synthesized for the first time. Among them, 1 was obtained as single crystals. The structural characterization for 1 was conducted using X‐ray diffraction and that for 2 –5 using mass spectrometry. The IC50 values for α‐glucosidase inhibition of 1 –5 were obtained as 0.161 to >600 μM. The spectral properties were also investigated using Fourier transform infrared and UV–visible spectra. Furthermore, to investigate the geometrical parameters, spectral and electronic properties and second‐ and third‐order nonlinear optical parameters for 1 –5, density functional calculations were applied. Abstract : Novel mixed‐ligand metal complexes containing 6‐methylpyridine‐2‐carboxylic acid and 1, 10‐Phenanthroline weresynthesized, and their structurescharacterized by XRD, LC‐MS/MS, FT–IR and UV–Vis spectroscopic techniques. The inhibitory activities against α‐glucosidase of the synthesized complexes1‐6 were identified by IC50 values. The docking studies ofsynthesized complexes were performed to the binding site of the target protein(the template structure S. cerevisiaeisomaltase).