Synthesis, Spectral Characterization, In vitro α-Amylase, Antioxidative and Molecular Docking Studies of S-(5-methoxy-1H-benzimidazole-2-yl) Thiophene-2-carbothioate and Their Metal Complexes
Manjuraj Thippeswamy
Department of Chemistry, Sahyadri Science College (Auto), Shimoga, Karnataka, India
Krishnamurthy Ganganaik *
Department of Chemistry, Sahyadri Science College (Auto), Shimoga, Karnataka, India
Halehatti S. Bhojyanaik
Department of Post Graduation Studies in Industrial Chemistry, Jnanasahyadri, Kuvempu University, Shankaraghatta, Karnataka, India
Yadav D. Bodke
Department of Post Graduation Studies in Industrial Chemistry, Jnanasahyadri, Kuvempu University, Shankaraghatta, Karnataka, India
*Author to whom correspondence should be addressed.
Abstract
The ligand S-(5-methoxy-1H-benzimidazole-2-yl) thiophene-2-carbothioate (BTC) and its Co(II), Ni(II), Cu(II) and Zn(II) metal complexes have been synthesized, structurally characterized by physicochemical and spectroscopic tools (Uv-vis, FT-IR, NMR, Lc-mass). The powder XRD analysis was carried out for Co(II), Ni(II) and Cu(II) complexes, indicates the crystalline nature of the complexes. The In vitro α-Amylase activity was performed by using porcine pancreatic amylase in Tris–HCl buffer; in-vitro antifungal activity was carried out by fungal strains Candida albicans, Aspergillus flavus and Microspore arises using agar well diffusion method. The DPPH radical scavenging activity was also performed for the ligand and their metal complexes and allied with docking interactions with a human antioxidant enzyme in complex with the competitive inhibitor DTT (PDB ID: 3NMG).
Keywords: 2-mercapto benzimidazole, metal complexes, XRD, α-Amylase, DPPH, docking