Benzimidazole-1,2,3-triazole-piperazine hybrids: design, synthesis, antidiabetic evaluation and molecular modelling studies

Deswal, Laxmi; Verma, Vikas; Kirar, Jagat Singh; Kumar, Devinder; Deswal, Yogesh; Kumar, Ashwani; Bhatia, Meenakshi

doi:10.1007/s11164-022-04921-4

Cited by 11 publications

(1 citation statement)

References 53 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…[4] Hyperglycaemia is usually associated with symptoms such as fatigue, thirst, frequent urination, recurring infections, blurred vision, and dysfunction of a variety of organs including the kidneys, blood vessels, heart, and nerves. [5,6] Diabetes is primarily classified into two types; Type-I and Type-II. [7] Type-II diabetes is the most frequent form of DM, accounting for 95% of total diabetes cases.…”

Section: Introductionmentioning

confidence: 99%

Instigating the in vitro antidiabetic activity of new tridentate Schiff base ligand appended M(II) complexes: From synthesis, structural characterization, quantum computational calculations to molecular docking, and molecular dynamics simulation studies

Deswal

Asija

Tufail³

et al. 2023

Applied Organom Chemis

View full text Add to dashboard Cite

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

show abstract

Section: Introductionmentioning

confidence: 99%

Instigating the in vitro antidiabetic activity of new tridentate Schiff base ligand appended M(II) complexes: From synthesis, structural characterization, quantum computational calculations to molecular docking, and molecular dynamics simulation studies

Deswal

Asija

Tufail³

et al. 2023

Applied Organom Chemis

View full text Add to dashboard Cite

show abstract

Recent Developments in 1,2,3‐Triazole Based α‐Glucosidase Inhibitors: Design Strategies, Structure‐Activity Relationship and Mechanistic Insights

Singh,

Sharma

et al. 2024

Chemistry & Biodiversity

View full text Add to dashboard Cite

Diabetes mellitus is a chronic and most prevalent metabolic disorder affecting 422 million the people worldwide and causing life‐threatening associated conditions including disorders of kidney, heart, and nervous system as well as leg amputation and retinopathy. Steadily rising cases from the last few decades suggest the failure of currently available drugs in containment of this disease. α‐Glucosidase is a potential target for effectively tackling this disease and attracting significant interest from medicinal chemists around the globe. Besides having a set of side effects, currently available α‐glucosidase inhibitors (carbohydrate mimics) offer better tolerability, safety, and synergistic pharmacological outcomes with other antidiabetic drugs therefore medicinal chemists have working extensively over last three decades for developing alternative α‐glucosidase inhibitors. The 1,2,3‐Triazole nucleus is energetically used by various research groups around the globe for the development of α‐glucosidase inhibitors posing it as an optimum scaffold in the field of antidiabetic drug development. This review is a systematic analysis of α‐glucosidase inhibitors developed by employing 1,2,3‐triazole scaffold with special focus on design strategies, structure‐activity relationships, and mechanism of inhibitory effect. This article will act as lantern for medicinal chemists in developing of potent, safer, and effective α‐glucosidase inhibitors with desired properties and improved therapeutic efficacy.

show abstract

Metal Complexes of 1,2,4-Triazole Based Ligand: Synthesis, Structural Elucidation, DFT Calculations, Alpha-Amylase and Alpha-Glucosidase Inhibitory Activity Along with Molecular Docking Studies

Deswal,

Asija,

Tufail

et al. 2023

J Inorg Organomet Polym

View full text Add to dashboard Cite

Benzimidazole-1,2,3-triazole-piperazine hybrids: design, synthesis, antidiabetic evaluation and molecular modelling studies

Cited by 11 publications

References 53 publications

Instigating the in vitro antidiabetic activity of new tridentate Schiff base ligand appended M(II) complexes: From synthesis, structural characterization, quantum computational calculations to molecular docking, and molecular dynamics simulation studies

Instigating the in vitro antidiabetic activity of new tridentate Schiff base ligand appended M(II) complexes: From synthesis, structural characterization, quantum computational calculations to molecular docking, and molecular dynamics simulation studies

Recent Developments in 1,2,3‐Triazole Based α‐Glucosidase Inhibitors: Design Strategies, Structure‐Activity Relationship and Mechanistic Insights

Metal Complexes of 1,2,4-Triazole Based Ligand: Synthesis, Structural Elucidation, DFT Calculations, Alpha-Amylase and Alpha-Glucosidase Inhibitory Activity Along with Molecular Docking Studies

Contact Info

Product

Resources

About