What question did this study set out to answer?

The study aims to synthesize organyltellurium(IV) complexes and evaluate their biological properties, emphasizing new drug scaffolds.

February 28, 2026

Organyltellurium(IV) Complexes Derived from a Hydroxymethylfurfural Schiff Base: Synthesis, Single Crystal XRD, Structural, and Computational Characterization with Preliminary Biological Assessment

Key Points

The study aims to synthesize organyltellurium(IV) complexes and evaluate their biological properties, emphasizing new drug scaffolds.
Synthesis of organyltellurium(IV) complexes using a hydroxymethylfurfural Schiff base ligand.
Characterization through single crystal X-ray diffraction and spectroscopic methods.
Biological assessment of antioxidant, antimicrobial, and antitubercular activities.
Computational analysis including DFT calculations and molecular docking studies.
ADMET profiling to assess drug-likeness and pharmacokinetics.
Complex 4d showed significant antioxidant activity with an IC50 of approximately 2.72 μM.
Complexes 4e and 4f exhibited strong antimicrobial and antitubercular activities.
DFT calculations indicated favorable electronic properties aligning with observed biological activity.

Abstract

Growing drug resistance has prompted continued interest in new chemical scaffolds with biological potential. Herein, we report a series of organyltellurium(IV) complexes, HMeF4AP(TeCl4), HMeF4AP(R1TeCl3), and HMeF4AP(R2TeCl2), based on an underexplored Schiff base ligand (HMeF4AP) derived from 5-hydroxymethylfurfural and 4-aminophenol, obtained in 68-84% yields. The ligand structure was confirmed by single-crystal X-ray diffraction, revealing a monoclinic system and bidentate (NO) coordination, while spectroscopic and thermal analyses supported an octahedral geometry around Te(IV). The complexes showed measurable in vitro biological activity; complex 4d exhibited the most potent antioxidant activity (IC50 ≈ 2.72 μM), whereas 4e and 4f displayed strong antimicrobial and antitubercular activity. DFT calculations analyzed electronic properties and structure-activity trends, molecular docking explored microbial target interactions, and ADMET studies confirmed favorable drug-likeness and pharmacokinetic behavior. Overall, these results highlight organyltellurium Schiff base systems as chemically stable bioactive scaffolds, warranting further investigation, and support their relevance for future medicinal chemistry studies.

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Cite This Study

Antil et al. (Wed,) studied this question.

synapsesocial.com/papers/69a286240a974eb0d3c00e9e https://doi.org/https://doi.org/10.1021/acs.jmedchem.5c02268

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