Diclofenac-Copper(II) complex and Kigelia pinnata-derived Ag/Mn nanocomposites: Synthesis, characterization, molecular docking and comparative antibacterial activity

Ömer F. DURAN; Khaled M.A. RAMADAN; Rukiye AYDIN; Sallah A. AL HASHEDI; Hossam S. EL-BELTAGI; Sevim H. ALISIR; Ilkay BAHÇECİ; Fatimah ALHAJJI; Yara M. AL NAEEM; Rasha A. MOHAMED; Eslam S.A. BENDARY; Mohamed A.A. MAHMOUD

doi:10.55779/nsb17412743

Authors

Ömer F. DURAN Patnos State Hospital, Ağrı (TR) https://orcid.org/0000-0003-1936-128X
Khaled M.A. RAMADAN King Faisal University, Department of Chemistry, Central Laboratories, 31982 Al-Ahsa (SA) https://orcid.org/0000-0003-0595-5394
Rukiye AYDIN Samsun University, Engineering Faculty, Basic Sciences Department, 55420 Samsun (TR) https://orcid.org/0000-0003-0576-1354
Sallah A. AL HASHEDI King Faisal University, Department of Chemistry, Central Laboratories, 31982 Al-Ahsa (SA) https://orcid.org/0000-0002-3183-9162
Hossam S. EL-BELTAGI King Faisal University, College of Agricultural and Food Science, Agriculture Biotechnology Department, 31982 Al-Ahsa (SA) https://orcid.org/0000-0003-4433-2034
Sevim H. ALISIR Ondokuz Mayis University, Faculty of Engineering, Samsun, Department of Metallurgical and Materials Engineering (TR) https://orcid.org/0000-0001-7296-8318
Ilkay BAHÇECİ Recep Tayyip Erdogan University, Faculty of Medicine, Department of Microbiology, 53100 Rize (TR) https://orcid.org/0000-0003-3662-1629
Fatimah ALHAJJI Abdulmonem Al Rashed Humanitarian Foundation, Fab Lab, Al-Ahsa (SA)
Yara M. AL NAEEM Abdulmonem Al Rashed Humanitarian Foundation, Fab Lab, Al-Ahsa (SA)
Rasha A. MOHAMED Agricultural Genetic Engineering Research Institute (AGERI), Agricultural Research Center, Bioinformatics Department, Giza (EG)
Eslam S.A. BENDARY Ain Shams University, Faculty of Agriculture, Department of Agricultural Biochemistry, P.O. Box 68, Hadayek Shobra, 11241 Cairo (EG)
Mohamed A.A. MAHMOUD Department of Agricultural Biochemistry, Faculty of Agriculture, Ain Shams University, P.O. Box 68, Hadayek Shobra, Cairo 11241, Egypt; (EG) https://orcid.org/0000-0001-5558-2755

DOI:

https://doi.org/10.55779/nsb17412743

Keywords:

copper complex, Diclofenac, Kigelia pinnata, green synthesis, silver nanoparticles, manganese oxide, antibacterial activity, molecular docking

Abstract

The development of novel antimicrobial agents remains urgent in the face of drug-resistant infections. Here, we report a comparative study of a synthetic diclofenac-based copper(II) complex and two green-synthesized nanocomposites derived from Kigelia pinnata extracts. The diclofenac–Cu(II) complex, tetrakis{µ-2-[2-(2,6-dichloroanilino)phenyl]acetato-κ²O:O’}bis(methanol-κO)copper(II), was synthesized, characterized by LC–MS and UV–Vis spectroscopy, and evaluated alongside an imidazole-ligated intermediate. In silico docking revealed strong predicted interactions of the diclofenac complex with bacterial nutrient-sensing proteins, notably E. coli UhpC and PfkB kinases, and Staphylococcus ECF transporters. Parallel LC–QTOF–MS profiling of Kigelia fruit and bark extracts identified abundant naphthoquinones and flavonoids, which facilitated the green synthesis of silver (AgNC) and manganese (MnNC) nanocomposites. SEM–EDX confirmed nanoscale morphology, with AgNCs composed of elemental silver and MnNCs containing Mn–oxide phases. Antimicrobial activity was compared against E. coli and Staphylococcus vitulinus. AgNCs demonstrated the highest potency (MIC ≤15.63 µg/mL for S. vitulinus; 62.5 µg/mL for E. coli), outperforming MnNCs (31.25–62.5 µg/mL) and the diclofenac–Cu(II) complex (256 µg/mL against Gram-positive strains only). The findings highlight the superior antibacterial performance of silver nanocomposites while confirming that copper complexes remain selectively active against Gram-positive pathogens.

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