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MIXED LIGANDS COMPLEXES OF METRONIDAZOLE: SYNTHESIS AND ANTIBACTERIAL STUDIES
(MATERIALS SCIENCE AND TECHNOLOGY SOCIETY OF NIGERIA, 2019-11-22) Lawal, A.; Issa, A; Rajee, A.O; Mamman, A; Saadu, H.O.; Bamigboye, M.O,; Babamale, H.F,; Osunniran, W; Busari, H.K
The synthesis of some transition metal complexes of metronidazole with oxalic acid have been reported and characterized using conductivity measurement, melting point determination, elemental analysis, infrared and ultraviolet/visible spectroscopic methods. Both ligands were bidentate in their moe of coordination with the metal ions. The antibacterial studies were investigated against Escherichia coli, Bacillus subtilis, Staphylococcus aureus and Klebsiella pneumonia. Mn(MET)(OXA)Cl2 has the highest inhibition against Klebsiella pneumonia, while Cu(MET)(OXA)Cl2 has the lowest inhibition against Bacillus subtilis.
SOLVENT -FREE SYNTHESIS, CHARACTERIZATION AND ANTIBACTERIAL STUDIES OF UREA AND THIOUREA-METAL COMPLEXES
(Science Focus, 2016-07-19) Amudat LAWAL; G.Grace NNABUIKE; J.Ayoola OBALEYE; Misitura LAWAL; M.Oluwaseyi BAMIGBOYE; H. Ojuolape SA'AD
Solvent - based synthesis as well as Liquid Assisted Grinding (LAG) synthesis of urea and thiourea complexes is described for comparison purposes. The resulting complexes of both methods of syntheses were characterized using melting points, conductivity values, spectroscopic data (IR, UV-Visible) and antibacterial activity study. Spectral data of the complexes synthesized by LAG method was found to be similar to those synthesized by conventional synthesis. All the ligands were found to be monodentate and all the complexes exhibited tetrahedral and square -planar geometry. The LAG method was carried out by introducing a few drops of solvent. The method is faster with a better yield compared to solvent-based method. The antimicrobial study of the ligands and the complexes was carried out against Gram-positive (Staphylococus aureus and Bacillus subtilis) and Gram -negative bacteria (Escherichia coli). The antibacterial activity study of the complexes showed that they possessed higher inhibitory activity than their parent ligands at concentration of 200gm-1.
De novo in silico screening of natural products for antidiabetic drug discovery: ADMET profiling, molecular docking, and molecular dynamics simulations
(Springer, 2025-02-07) Sulyman Olaleken Ibrahim; Yusuf Olohuntoyin Ayipo; Haliman Yusuf Lukman; Fatimah Aluko Abubakar; Asiat Na'Allah; Rashidat Arije Katibi-Abdullahi; Morili Funmilayo Zubair; Olubunmi Atolani
Epigenetic dysfunction which has implicated disease conditions such as diabetes highlights the urgency for the discovery of novel therapeutic alternatives. The rising global incidences of diabetes and the limitations of existing treatments further exacerbate the quest for novel antidiabetic agents’ discovery. This study leverages computational approaches to screen selected bioactive natural product phytoconstituents for their potential anti-diabetic properties. Utilizing pharmaceutical profiling, ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) predictions, molecular docking, and molecular dynamics (MD) simulations, the drug-likeness and binding affinity of these natural compounds against human pancreatic amylase was investigated. Out of the total 24,316 ZINC compounds screened for their binding scores with amylase, ZINC85593620, ZINC85593668, and ZINC85490447 came top. The compounds had higher binding scores than the standards (acarbose and ranirestat) with ZINC85593620 having the highest docking score of−12.162 kcal/mol and interacted with key amino acid residues such as TRP 59, ILE 148, and ASP 197. Further validation through MD simulations reveals that all the compounds showed minimal fluctuations relative to the standards indicating strong and stable binding interactions suggesting potential effective inhibition of the enzyme. ZINC85593620 and ZINC85593668 showed promising distribution and availability characteristics for amylase inhibition. Overall, the compounds displayed potential amylase inhibition which underscores their use as promising natural products in developing new antidiabetic drugs. Further experimental validations are recommended to offer a potential solution to the pressing need for safer and more effective antidiabetic therapies.
Preparation, Characterization and Antibacterial Activity of Metal Complexes of Mixed Ligands of Nicotinamide and Metronidazole
(Nigerian Journal of Biochemistry and Molecular Biology, 2017-03-22) Lawal, A.; Ayanwale, P. A.; Rajee, A. O.; Bamigboye, M. O.; Saad, A. O.,; Lawal, M.,; Babamale, H. F.; Nnabuike, G. G.; Yunus-Issa, M. T.; Amolegbe, S.A
The Mn2+, Fe2+, Cu2+, Co2+, Zn2+ and Ni2+ complexes of mixed nicotinamide and metronidazole were prepared and characterized using solubility, melting point, conductivity measurement, CHNO (carbon, hydrogen, nitrogen, oxygen) elemental analysis, powder X-ray diffraction and infrared spectroscopy . The results of the physical and spectroscopic data confirm the formation of the complexes. For nicotinamide, coordination of the metal to the ligands occurred through the nitrogen of the pyrimidine group, while for mertonidazole, coordination took place through the nitrogen of the amine group. The antibacterial activity of the complexes was carried out against Staphylococcus aureus, Pseudomonas aureginosa, Klebsiella spp, Escherichia coli and Candida spp. Only Cu(II) mixed complex had high inhibitory activity against all three bacteria species. The results of antifungal activity show that all the complexes have no inhibitory activity against the two fungi species compared with the corresponding ligands.
Mn(II), Fe(III) and Ni (II) Complexes of Mixed Citric acid - Sulphamethoxazole: Synthesis, Characterization and Antibacterial activity
(Sciendo, 2023-02-28) Amudat Lawal; Seyi Olowude; Abdullahi O. Rajee; Sunday E. Elaigwu; Mercy O. Bamibgoye; Haizat O. Saadu; Amos Mamman; Halimat F. Babamale; Muslimat T. Yunus-Issa; Saliu A. Amolegbe
Three mixed ligand complexes of sulphamethoxazole and citric acid have been synthesized using Mn(II), Fe(III) and Ni(II) chlorides. The complexes were characterized by elemental analysis, melting point, conductivity test, magnetic measurement, UV-Visible and infrared spectroscopy. The infrared spectra data revealed that the ligands act as bidentate, in which citric acid coordinate through C=O of the carboxyl and oxygen of the hydroxyl groups, while sulphamethoxazole coordinates through nitrogen atom of the primary amine group and O=S=O of the sulphonyl group. The result of the elemental analysis was consistent with the proposed pattern for the complexes, while the melting point determination confirmed that the synthesized compounds were pure. Antibacterial activity of metal complexes were screening against five strain bacteria microorganism of g(+)Pseudomonas aeruginosa, Eschericia coli, g(+)Klebsiella pneumonia, g(+)Staphylococcus aureus and g(+)Candida using Muller Hinton diffusion method. The result showed that the overall zone of inhibition against bacterial isolate follows an increasing order of priority Fe(III)˃ Ni(II)˃ Mn(II) complexes.

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