Synapse
⌘+K
Synapse
PulseExploreClubsResearchersJournals
Instagram
HomeClubsExplore
December 12, 2025Scientific ReportsOpen Access

Exploring the chemical and biological landscape of a Nickel (II) schiff base complex via azomethine linkage

View Full Paper
Ask AI
Bookmark
Share

Authors

RVRangaswamy VenkateshTMT. MuruganAKAttar Kubaib

Discussion

Loading...

Member takes

Overview

Characterization and molecular docking reveal high binding affinity and promising antibacterial activity of nickel(II) azomethine complex.

Key Points

  • This research aims to explore the properties of a Nickel(II) Schiff base complex and its biological activities.
  • Synthesis and characterization of Nickel(II) complexes using UV-Vis, FT-IR, and 1H NMR spectroscopy.
  • Computational analysis via DFT calculations at B3LYP/6-311++G(d,p) level.
  • Molecular docking studies against the 2BL8 receptor to assess binding affinity.
  • ADMET predictions for solubility and pharmacokinetic properties.
  • Antibacterial assays on various bacterial strains.
  • Identified square-planar coordination with Ni-N and Ni-O bonding.
  • Reduced HOMO-LUMO gap of 2.724 eV indicates enhanced reactivity.
  • Molecular docking showed high binding affinity of -9.1 kcal/mol, surpassing chloramphenicol.
  • ADMET analysis showed good solubility (-3.860) and high oral bioavailability (0.85).
  • Demonstrated superior antibacterial activity against E. coli, K. pneumoniae, and B. subtilis.

Cite This Study

Venkatesh et al. (2025) studied this question.

synapsesocial.com/papers/6941aae10f5af7fd17df5943https://doi.org/10.1038/s41598-025-31991-2
View Full Paper
Ask AI
Bookmark
Share

Also Consider

Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context:

  1. 1Structural elucidation, biological significance and computational approach of Copper(ii), Nickel(ii) and Cobalt(ii) with bidentate schiff base of N-(Napthalene-1-ylmethylene)isonicotinohydrazide2026 · 2 citations
  2. 2In Silico and In Vitro Antimicrobial Evaluation of Iron(III) and Nickel(II) Schiff Base Complexes Bearing a Hydroxyethyl‐Substituted Ligand2025 · 2 citations
  3. 3Synthesis, characterization, biological activity evaluation, and in silico study of thiosemicarbazide-based Schiff bases and their Ni(II) complexes2026
  4. 4Synthesis of Schiff Base Ligand Based on 2-Aminobenzothiazole and 4-Hydroxybenzaldehyde and Their Nickel Complexes: Characterization and Antibacterial Studies2025
  5. 5Synthesis, characterization, and applications of nickel complexes with multifunctional Schiff base ligands2026