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In search of novel medications that could be effective in preventing and treating diabetes, four new [Co(L)(H 2 O) 3 ] (2), [Ni(L)(H 2 O) 3 ] (3), [Cu(L)(H 2 O)] (4) and [Zn(L)(H 2 O)] (5) complexes were synthesized from 4-Chloro-2-(((3-mercapto-5-[pyridin-4-yl]-4H-1,2,4-triazol-4-yl)imino)methyl)phenol ligand (H 2 L),which is obtained by the condensation of 5-chlorosalicylaldehyde with 4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol in 1:1 ratio. The Fouriertransform infrared spectroscopy (FTIR), nuclear magnetic resonance (NMR)( 1 H and 13 C), elemental analyses, UV-visible, electron spin resonance (ESR), thermogravimetric analysis (TGA), scanning electron microscopy, energy dispersive X-ray analysis (EDAX), and X-ray diffraction (XRD) studies were used to successfully characterize the compounds. The ligand act in a tridentate manner and coordinates to the metal ions through N azomethine , O phenolic and S thiol functionalities. On the premise of their spectral and physico-analytical data; octahedral geometry for complex 2 and 3, while square planar and tetrahedral geometry for complex 4 and 5 was proposed. Theoretical calculations of the synthesized compounds have been performed by using density functional theory (DFT)/B3LYP method and parameters such as HOMO-LUMO energy values and MESP were calculated. In vitro examinations against α-amylase and α-glucosidase reveal promising results for the compounds. Nickel (II) complex(3) against α-amylase and zinc (II) complex (5) against α-glucosidase were found to be good inhibitors. Molecular docking experiments against the receptors 1BSI and 5ZCC were done to support the observation and considerable

Current antimicrobial drug discovery and advancement attempts are aimed to identify new complexes that can work effectively against the infections caused by microbes. The aim of present study was to synthesize new diorganotin(IV) complexes of N' -((8-hydroxy-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-2-nitrobenzohydrazide (H 2 L 1 ), N' -((8-hydroxy-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-3-methoxybenzohydrazide (H 2 L 2 ) and N' -((8-hydroxy-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)methylene)-4-methylbenzohydrazide (H 2 L 3 ) Schiff base ligands with formula R 2 SnL 1−3 (where R = Me, Et, Bu and Ph). Various spectral and physico-analytical techniques such as elemental analysis, FT-IR, multinuclear ( 1 H, 13 C, 119 Sn) NMR, HRMS and XRD were utilized to structurally elucidate the prepared compounds. Based on the spectral data, it was concluded that ligands behave in a tridentate manner and coordinates to the central tin atom through ONO donor atoms. Furthermore, the synthesized compounds were examined for in vitro antimicrobial activity against four bacterial and two fungal strains. Among the examined compounds, Ph 2 SnL 1 complex (MIC = 0.0095 µmol/mL) was found to be the most active. To rationalize the preferred mode of interactions of the most active compound, a molecular docking study of compound Ph 2 SnL 1 was executed in the binding site of 3-oxoacyl-[acyl-carrier-protein] synthase 2 (FabF) of E. coli and sterol 14-alpha demethylase of C. albicans . Compound Ph 2 SnL 1 inhibits the microbes effectively and it could be an effective and new candidate for the modulation of various infections. Graphical Abstract New diorganotin(IV) complexes ( 4–15 ) were prepared from tridentate Schiff base hydrazones ( 1–3 ). The compounds were examined for in vitro antimicrobial activity. Further, molecular docking study of the most potent compound Ph 2 SnL 1 ( 7 ) was performed against the enzyme 3-oxoacyl-[acyl-carrier-protein] synthase 2 (FabF) of E. coli and sterol 14-alpha demethylase of C. albicans . Supplementary Information The online version contains supplementary material avail...

Some novel benzimidazole‐tethered 1,2,3‐triazole derivatives (4a–r) were synthesized by a click reaction between 2‐substituted 1‐(prop‐2‐yn‐1‐yl)‐1H‐benzo[d]imidazole and in situ azide. The structures of the synthesized compounds were confirmed by spectroscopic studies (one‐ and two‐dimensional nuclear magnetic resonance, Fourier transform infrared, and high‐resolution mass spectra). The synthesized compounds were evaluated for their antidiabetic activity. Compounds 4a–r exhibited a good‐to‐moderate α‐amylase and α‐glucosidase inhibitory activity, with IC50 values ranging from 0.0410 to 0.0916 µmol/ml and 0.0146 to 0.0732 µmol/ml, respectively. Compounds 4e, 4g, and 4n were found to be most active. Furthermore, the binding conformation of the most active compounds was ascertained by docking studies.

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