Synthesis and structural characterization of Cu(II)/Pd(II) complexes derived from FDA-approved sulfonamide Schiff bases: In vitro and in silico evaluation of CA II inhibition and antibacterial activity

Sali̇ha Alyar

doi:10.1016/j.molstruc.2026.146405

Synthesis and structural characterization of Cu(II)/Pd(II) complexes derived from FDA-approved sulfonamide Schiff bases: In vitro and in silico evaluation of CA II inhibition and antibacterial activity

2026-04-28

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AI

S

Sali̇ha Alyar *

Ü

Ümmühan Özdemir Özmen

Ş

Şevki Adem

A

Ali Öztürk

A

Ayla Balaban Gündüzalp

H

Hami̇t Alyar

DOI：10.1016/j.molstruc.2026.146405

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Abstract

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• Sulfa-derived Schiff base ligands were used to synthesize novel Cu(II) and Pd(II) complexes and systructurally characterized. • Metal coordination significantly enhanced the CA II inhibitory activity of the ligands. • The Cu(S2M–S3)₂ complex exhibited potent CA II inhibition with an IC₅₀ value of 0.73 μM. • S1M–S3 and Pd(S1M–S3)₂ showed notable antibacterial activity, particularly against Gram-positive bacteria. • DFT calculations and molecular docking studies provided insight into the structure–activity relationships.

Keywords:

Cu(II) complex

Pd(II) complex

sulfonamide Schiff base

carbonic anhydrase II inhibition

antibacterial activity

Synthesis and structural characterization of Cu(II)/Pd(II) complexes derived from FDA-approved sulfonamide Schiff bases: In vitro and in silico evaluation of CA II inhibition and antibacterial activity

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