Synthesis and Computational Evaluation of CoII and CuII Schiff Base Complexes Synthesis and Computational Evaluation of CoII and CuII Schiff Base Complexes Seewan Ameena N. hawraa.abdulkadhim@mu.edu.iq Gassed Delfaa S. hawraa.abdulkadhim@mu.edu.iq Alkoofee Wafaa Mahdi hawraa.abdulkadhim@mu.edu.iq Mayzed Hawraa a. hawraa.abdulkadhim@mu.edu.iq Department of Science, College of Basic Education, Al-Muthanna University, Samawah,66001 Iraq Department of Chemistry /College of Science, Basrah University Iraq Department of Chemistry, College of Sciences, AL-Muthanna University, Samawah,66001 Iraq Department of Chemistry, College of Sciences, AL-Muthanna University, Samawah,66001 Iraq 10 02 2026 10022026 <bold id="bold-6d99a2f6b948fcb0724684c1c839032e">Introduction</bold>

It has been known that many metal ions on interaction with Schiff bases give chelates [1]. Schiff bases are a special class of ligands with a variety of donor atoms exhibiting interesting coordination modes towards various metals [2], [3], [4] . Many compounds of Schiff base ligands are known and the properties of their metal chelates have been identified. Metal complexes of nitrogen-oxygen chelating agents derived from 4-aminoantipyrine Schiff base have studied widely due to their great applications in biological, clinical, analytical and pharmacological areas [[5][6]].

There are many methods to synthesis Schiff bases and Schiff base complexes, one of these method using microwave technique.Microwave irradiation applications include chemical transformations that are pollution-free, environmentally benign, low-cost, and produce a high-quality product while being simple to manufacture and handle. The essential benefits of the microwave method are reduced reaction times and easy conditions of reaction [[7],[8]].

In the present work, we have synthesized a new bidentate Schiff base ligand (BDP) using 4-aminoantipyrine as a starting material, then it’s Co (II), and Cu (II) complexes were formed by the reaction of BDP and appropriate metal salts. All of the synthesized compounds were identified using several analytical and spectroscopic techniques.

EXPERIMENTAL

 <bold id="bold-6e2b0aa3fc579d09cf9afe90c2a3188f">Instrumentation</bold>

Element C.H.N analyzer was carried out on a EM - 017. Mth instrument. The FTIR spectra in the range (4000 - 400) cm-1were recorded as KBr disc on FT-IR-8000, single beam path Laser, Shimadzu Fourier transform infrared spectrophotometer. UV-Visible spectrophotometer in range (250 - 1100) nm. The microwave irradiation were complete using microwave oven - Panasonic. NN - ST300W. The magnetic susceptibility values of the prepared complexes were obtained at room temperature using Magnetic Susceptibility Balance of Johnson matter catalytic system division, England. The metal percentage of the complexes was measured using atomic absorption technique by Shimadzu Atomic Absorption 680 Flam Spectrophotometer for the determination of (Cu+2 , and Co+2) metal ions. Using GBS - 933 Flame and Atomic Absorption Spectrophotometer. The conductivity measurements were obtained using Conduct meter WTW at (25˚C) with concentration of 10-3 M. The complexes were dissolved in DMSO.

Synthesis of ligand BDP [[9]]

All materials were used further purification. To (0.005mol) (0.203 g) of the 4-aminoantipyrine dissolved in (15 ml) of ethanol, it was added (0.005 mole) (0.924 g) of 4-bromo benzaldehyde in (10 ml) of ethanol with three drops of glacial acetic acid as a catalyst, then left at room temperature extended to (15 minutes), filtered off, and dried and recrystallized by using ethanol the physical data are shown in the table 1.

Synthesis of BDP metal complexes [[10]].

The (BDP) ligand (2 mmol) and the metal salt (1mmol) (CoCI2.6H2O) and (CuCl2.2H2O) were mixed in a grinder. The reaction mixture was the added in the microwave oven using few drops from solvent. The reaction was completed in (2) minute. The resulting complexes washed several times with absolute ethanol.

Formation Complexes in Solution

The molar ratio plot was obtained in order to calculate the [M: L] ratio of the complexes by adding an increased amount of ligand (0.25 - 5.0 ml) of 10-3M to a constant amount of metal ion (1 ml of 10-3M (CoCl2.6H2O and CuCl2.2H2O) in a volumetric flask of 10 ml methanol. Absorbance measurements were taken against a blank for each chelating agent concentration at the formation complex's λmax.

Theoretical study

Computational Methods Theoretical calculation were performed on hyperchem program version 8.03. The geometries of the BDP ligand and its metal complexes were optimized first at level molecular mechanics force field (MM+) and then at level semi empirical theory (PM3).

Molecular Docking Study

Choosing the antiviral target protein depends on ligand affinities and the competition between docked poses, using appropriate docking parameters. The target is the breast cancer virus (PDB IDs: 3PP0 and 3POZ, with resolutions of 2.25 Å and 1.50 Å, respectively, downloaded in PDB format from the Protein Data Bank (RCSB PDB: Homepage) [11]. The breast cancer virus's site, as a receptor (both 3POZ and 3PP0 used chain A), has been meticulously docked with the synthesized ligand BDP. The reference ligands used for the receptor (3POZ and 3PP0), Control 1 and Control 2, respectively, have been carefully chosen to estimate the strength of the resulting contact and to identify a theoretical association with their breast cancer antiviral activity. The three-dimensional structure of ligand BDP was built using Avogadro software. A molecular docking study was implemented using the AutoDock tools 1.5.6 software [[12][13]]. Initially, the chosen target protein was prepared, ensuring that any water molecules, extra ions, or ligands not specified in the study protocol were removed. Polar hydrogens were added to the protein, and Gasteir charges were assigned. The BIOVIA Discovery Studio Visualizer (v.4.5) was used for this purpose.

ADME prediction

According to Lipinski's Rule of Five, a perfect drug Compound is characterized by specific physicochemical properties. This rule proposes the capacity of a chemical compound to function as a potent oral medication [[14]]. RO5 states that for a chemical to be similar to a drug, the Compound being judged must comply with as many of the subsequent rules as possible [[15]]. Firstly, an MW of ≤ 500 g/mol, log P value of ≤ 5, Number of H-bond donors ≤ 5, Number of H-bond acceptors ≤ 10 [[16]]. Polarity: TPSA between ≤ 130 Ų, and finally, flexibility ≤ 9 rotatable bonds [[17]]. The pharmacokinetics part of the Swiss ADME online site (http://www.swissadme.ch/index.php) describes gastrointestinal (GI) absorption, blood-brain barrier (BBB) permeation, P-glycoprotein (P-gp) substrate, and inhibition of cytochrome P450 enzymes in the compounds. These factors explain the importance of computer-based drug design methods in approximating how the hits will work in the body and whether they will be harmful [[18]]. All predictions were performed using default settings and evaluated for compliance with standard drug-likeness and safety criteria.

 <bold id="bold-6e86f4f6aeebc677484d1c928e70fc4d">Result And Disccusion</bold>

The microanalysis results and physical properties for the ligand and its metal complexes are summarized in Table I. The calculated values of C.H.N and metal analysis were in a good agreement with the experimental values.

TABLE I. Physical data of Schiff base compounds.

Found (calc.)% M.Wt g.mol-1 Yield% M.p.˚C Colour Compound
M N H C
------ 10.45(11.35) 4.70(4.36) 67.44(58.39) 370.24 85 250-252 pale yellow BDP
5.43(6.02) 7.97(8.59) 4.75(4.53) 34.22(44.19) 978.42 78 110-112 Dark green CoBDP
7.12(6.98) 8.34(9.23) 4.21(3.98) 46.55(47.46) 910.97 80 188d Pale green CuBDP

Infrared Spectral Study

The infrared spectra of the relevant metal complexes and the free BDP ligand were contrasted. Table II lists the most significant vibrational bands of the ligand and its metal complexes, along with their respective designations. Every compound in its solid state was measured using a KBr disc in the 4000-400 cm-1 range. Ligand BDP spectra showed a prominent band at (1649.19) cm–1, which may have been caused by interference of the (C=O), while the bands at (1595, 18 -1570.11) cm–1 may be referred to as (C=N) and aromatic (C=C) stretching [19].

In the spectra of Co and Cu complexes, the bands of C=O and C=N were shifted, which is characteristic of a bidentate coordination mode.Another weak band appeared at 505.37-450.00, attributed to coordination between M-N and M-O [[20]].

TABLE II. Most diagnostic FTIR bands of the BDP ligand and its metal complexes

Symb. ν (C=O) ν (C=N) ν (C=C) v (M-O) v (M-N) v (H2O)
BDP 1649.19 s 1595.18 s 1570.11 ------- -------- ------
Co-BDP 1687.72s 1691.33s 1620.20 m 505.37vw 476.43 vw 3450.77 b
Cu-BDP 1737.92 s 1593.25s 1570.11 m 586.00 vw 450.00 vw 3365.90 b

Where: w=weak, s=strong, sh=sharp, m=medium b=broad

U.V–Vis spectral data for the BDP ligand and its complexes

The electronic spectrum of the ligand shows transitions at 274 and 350 nm, respectively as shown in Table III. The electronic spectrum of Co complex shows transitions at 993.50 and 678.68 nm, respectively. There are three probable d-d transitions for high spin Co II octahedral complexes:4T1g→4T2g (ν1), 4T1g→4A2g (ν2), and 4T1g →4T1g (ν3), the last transition may be appear under the envelop of ligand-centered transitions because will be highest in energy [[21]]. Thus, the two bands appear in the spectrum of CoII complex may be due to4T1g→4T2g (ν1) and 4T1g→4A2g (ν2) transitions respectively. The spectrum also showed other bands at 343.50 and 272.00 nm might be assigned to charge transfer bands. The magnetic moment value of Co (II) complex found to be (4.51 B. M) indicates that the dark green CoII complex to be paramagnetic and is characteristic of high spin cobalt ion geometry. Conductivity values show the complex to be nonionic. The electronic spectrum of the CuII complex displayed a broad band at 750.00 cm-1 due to the 2Eg→2T2g transition, which conforms with the octahedral arrangement around the copper ion [[10]].The spectrum also showed transitions at 402.00 and 302.00 nm can be assigned to charge transfer bands. Conductivity value show the complex to be nonionic. Cu II complex showed magnetic moment 1.78 BM higher than the spin only value 1.73 BM agreement for one unpaired electron monomeric octahedral geometry [[22]].

TABLE III. Electronic spectra data, Conductivity in DMSO solvent, and magnetic

Compound BDP CoBDP CuBDP
AbsorptionBands(cm-1) 350.00274.00 993.50678.68343.50272.00 750.00402.01302.00
Assignments n→π*π→π* 4T1g→4T2g4T1g→4A2g4T1g→4T1gL→CoCT 2Eg→2T2gL→CuCT
µeff. B.M -------- 4.15 1.78
µscm-1 -------- 0.26 0.40
Suggested geometry --------- O.h O.h

Study formation of Complexes in Solution

The Complexes were studied in solution using methanol as a solvent, to determine [M/L] ratio of the complexes using molar ratio method [[23]]. A series of solutions having a concentration (10-3 M) were prepared of Cu(II) and Co(II) ion and ligand . The metal: ligand ratio calculated from the relationship between the absorbance and the mole ratio of [M/L] [[24]]. The results of complexes in methanol propose that the metal to ligand ratio was [1:2] for complexes, which was approximately that obtained from the study in the solid state. Figures 1 and 2 show mole ratio plotting of the BDP ligand and its metal complexes.

Fig. 1: Mole L\Mole Cu(II)\ λ<sub id="_subscript-33">max</sub> 302 nm

Fig. 2: Mole L\Mole Co(II)\ λ<sub id="_subscript-34">max</sub> 343 nm

Computational Study:

In this research, Hyperchem 8.3 program was used to calculate the heat of formation (ΔHºf), binding energy (ΔEb) and dipole moment (μ) for the BDP ligand and its metal complexes using semi-empirical PM3 at 298K, also The HOMO and LUMO frontier orbital and energy gab of compounds were calculated, and from the result the complexes are more stable than the ligand as illustrate in Table IV.

TABLE IV. Conformation energetic (in K.J.mol<sup id="_superscript-41">-1</sup>) and dipole moment (in Debye) for Compounds.

Comp. ∆H˚f ΔEb µ HOMO LUMO ∆Egab
BDP 329.60 -17807.83 5.43 -8.83 -1.12 7.71
CoBDP -816.450 -37762.35 11.76 -8.85 -1.10 7.75
CuBDP 320.30 -36514.23 11.75 -8.87 -1.11 7.76

Molecular Docking Analysis

The molecular docking process requires predicting the favorable binding affinity between ligands and a rigid/flexible macromolecular target, typically a protein. Table V: Molecular docking visualization showing the binding conformation of the ligand within the active site of the target breast cancer protein (3POZ). The ligand BDP is surrounded by several key amino acid residues through multiple hydrogen bonds, including Leu718, Val726, Lys745, Leu858, Phe859, Asp855, and Met766, with a docking score of -9.00 kcal/mol. At the same time, the control (1) inhibits the docking score (-10.6 kcal/mol) and is surrounded by several key amino acid residues, including Leu718, Val726, Lys745, Phe856, Leu844, Met793, Ala743, Leu788, Thr790, Leu774, Met766, Arg776, Gly775, and Thr790. On the other hand, binding of the receptor protein 3pp0 to the ligand BDP engages in hydrogen-bond interactions with multiple amino acid residues in the receptor’s active site, notably Lys753, Arg868, Ala751, Leu726, Leu852, Leu796, Thr862, and Asp863, and its binding energy is -10.6 kcal/mol compared with the control (2), which has a docking score of -11.1 kcal/mol. Furthermore, the ligand shows several stabilizing interactions, involving π–π T-shaped interactions, van der Waals contacts, attractive charge interactions, and π–sigma addition to π–alkyl interactions. These collective non-covalent interactions contribute to enhancing the ligand’s stability and proper orientation within the active site, thereby supporting its overall binding affinity toward the breast cancer target protein, as illustrated in Figures 3 and 4, respectively.” The arrangement suggests that the ligand is stabilized primarily through van der Waals forces and hydrophobic stacking, which may contribute significantly to its binding affinity and specificity toward the receptor. Based on the overhead and the results obtained, it appears that the synthesized ligand (BDP) shows high anti-breast cancer properties, as the bioactivity is typically affected by the substituents attached to the pyrazole ring. Furthermore, previous studies have reported that coordination of ligands with transition metals often enhances their docking scores and binding interactions, likely due to increased structural rigidity, altered electronic distribution, and additional coordination sites [[25]]. In light of these findings, it is reasonable to hypothesize that complexation of the present ligand with metals such as cobalt and copper could further improve its docking performance and overall biological activity, a premise that merits further investigation in future research.

Fig. 3.Two-dimensional interaction diagrams of ligandBDPand control (1) with the target breast cancer virus 3poz

Fig. 4.Two-dimensional interaction diagrams of ligand BDPand control (2) with the target breast cancer virus 3pp0.

TABLE V: Docking score (∆G) kcal/mol of ligand <bold id="_bold-41">BDP</bold> and references against breast cancer viral target proteins (<bold id="_bold-42">3PP0</bold> and <bold id="_bold-43">3POZ</bold>)

ADME prediction

The pharmacokinetics analysis of the synthesized ligand (BDP) showed that the ligand fulfills classical oral drug‑likeness criteria. Table VI explains the SwissADME result, which reported that the ligand has a molecular weight of 370.24 g/mol, three rotatable bonds, and a TPSA value of 39.29 Ų, indicating high membrane permeability and potential to cross the blood–brain barrier [[26]]. The lipophilicity profile (Consensus LogP= 3.64) designates a balanced hydrophilic–lipophilic character, while predicted aqueous solubility is moderate. At the same time, Pharmacokinetic predictions indicate high gastrointestinal absorption, BBB permeation, and the absence of P-gp substrate properties, although the ligand is predicted to inhibit CYP1A2, CYP2C19, and CYP2C9. Druglikeness analysis designates compliance with Lipinski’s and other major medicinal chemistry rules, with a bioavailability score of 0.55. No PAINS alerts were detected, but a single Brenk alert was associated with the presence of an imine group. The synthetic accessibility score of 3.01 suggests the ligand can be synthesized with relative ease.

TABLE VI. ADME profile of the synthesized ligand (BDP).

Physicochemical Properties
Property Value Interpretation
Molecular weight 370.24 g/mol <500, compliant with Lipinski’s rule
TPSA 39.29 Ų Low, good BBB permeation
Rotatable bonds 3 Low flexibility, stable conformation
H-bond donors / acceptors 0 / 2 Favorable for permeability
Consensus LogP 3.64 Balanced lipophilicity
Solubility (ESOL) Moderately soluble Suitable for oral use
Pharmacokinetics
Parameter Prediction
GI absorption High
BBB permeation Yes
P-gp substrate No
CYP1A2 inhibitor Yes
CYP2C19 inhibitor Yes
CYP2C9 inhibitor Yes
CYP2D6 inhibitor No
CYP3A4 inhibitor No
Druglikeness & Medicinal Chemistry
Rule/Alert Result
Lipinski Yes (0 violations)
Ghose Yes
Veber Yes
Egan Yes
Muegge Yes
Bioavailability score 0.55
PAINS alerts 0
Brenk alerts 1 (imine group)
Synthetic accessibility 3.01
Conclusion

In this research, we synthesized new complexes by microwave technique. The complexes were identified by infrared, UV-Vis., C. H. N, Atomic absorption, Magnetic susceptibility as well as conductivity measurement. The complex formation was studied in solution and the result obtained which were approximately as that obtained from solid state study. The BDP ligand and its metal complexes were studied in gas phase by using PM3 method to calculate the energies and the result showed that the complexes were more stable than the ligand.

The molecular docking results indicate that the synthesized ligand (BDP) demonstrates strong binding affinity toward the target protein, primarily through hydrophobic and van der Waals interactions. Its docking scores suggest significant potential as an anti-breast cancer agent, influenced by substituents on the pyrazole ring. Moreover, previous findings support that coordination with transition metals like cobalt or copper could further enhance its structural stability and bioactivity, warranting future investigation.

 1 3 2010 ALIYU, H.; ADO I. Bayero Journal of Pure and Applied Sciences Studies of Mn (II) and Ni (II) complexes with Schiff base derived from 2-amino benzoic acid and salicylaldehyde 11 o4768-o4770 62 2006 Osman, H., Al‐Douh, M. H., Ng, S. L., Hamid, S. A., & Fun H. K. Structure Reports 2-Benzyloxy-3-methoxybenzaldehyde (benzyl-o-vanillin) 2 309-319 34 2015 Khalifa Mohamed Ezzat Mohamed Mahmoud Abdel-Halim Alshehri Noura Homoud Macedonian Journal of Chemistry and Chemical Engineering Synthesis of novel 2-amino-5-arylazothiazol derivatives and their biological impacts: Assessment of toxicity and antioxidant enzymes activities 2 13-21 2 2012 Khalil Mostafa M H Ismail Eman H Mohamed Gehad G Zayed Ehab M Badr Ahmed Open Journal of Inorganic Chemistry Synthesis and characterization of a novel schiff base metal complexes and their application in determination of iron in different types of natural water 1 154-162 30 2011 Rosu Tudor Pahontu Elena Maxim Catalin Georgescu Rodica Stanica Nicolae Gulea Aurelian Polyhedron Some new Cu (II) complexes containing an ON donor Schiff base: Synthesis, characterization and antibacterial activity May 9 2024 10.1016/j.rechem.2024.101596 Dechasa Tesfaye Arasu P. Thillai Lealem Asnake Results in Chemistry A review on the synthesis, characterization and application of Schiff bases containing resorcinol moieties and their first row transition metal complexes 3 e7904 39 2025 Bhosale Dnyandev Chopade Arun Nimal Snehal Gacche Rajesh Raut Dattatraya Chaudhari Praffula Puri Gulab Khobragade Rahul Narale Ashwini Hublikar Mahesh Applied Organometallic Chemistry Microwave‐Assisted Synthesis of Novel Co (II), Cu (II), and Zn (II) Complexes Derived From Fluorinated Thiazole Schiff Bases: Antimicrobial, Anticancer, and Molecular Docking Study Daher Abed M Microwave Synthesis of some new compounds 1, 3–Oxazepine–4, 7-dione, derivatives from Schiff bases 11 696-724 48 2022 Adithya Krishnan M Saranyaparvathi S Raksha C Vrinda B Girish C Geethu Kulkarni N Kharisov B I Russian Journal of Coordination Chemistry Transition metal complexes of 4-aminoantipyrine derivatives and their antimicrobial applications 3 115-125 25 2024 Sabah Thuraya Q Baqer Shaymaa R Iraqi Journal of Chemical and Petroleum Engineering Design, synthesis, and evaluation of some metal ion complexes of mannich base derived from 2-Mercaptobenzimidazole as potential antimicrobial agents 1 43-59 3 2022 10.1038/s43018-021-00279-5 Shen Minhong Wei Yong Kim Hahn Wan Liling Jiang Yi-Zhou Hang Xiang Raba Michael Remiszewski Stacy Rowicki Michelle Wu Cheng-Guo Wu Songyang Zhang Lanjing Lu Xin Yuan Min Smith Heath A Zheng Aiping Bertino Joseph Jin John F Xing Yongna Shao Zhi-Ming Kang Yibin Nature Cancer Small-molecule inhibitors that disrupt the MTDH–SND1 complex suppress breast cancer progression and metastasis 2024 Tang Shidi Ding Ji Zhu Xiangyu Wang Zheng Zhao Haitao Wu Jiansheng IEEE/ACM Transactions on Computational Biology and Bioinformatics Vina-GPU 2.1: towards further optimizing docking speed and precision of AutoDock Vina and its derivatives 3 585-600 39 2025 10.4314/bcse.v39i3.15 Mazyed Hawraa Abdul Kadhim Imran Noor Hameed Mohammed Shaymaa Adil Munahi Murad G. Nahi Riyadh J. Bulletin of the Chemical Society of Ethiopia Computational Details of Molecular Structure, Spectroscopic Properties, Dft Calculations and Molecular Docking Study of Some 1,4-Disubstituted-1,2,3-Triazole Derivatives Derived From 4-Aminobenzen Sulfonic Acid 17 9170 25 2024 Andonova Velichka Nikolova Krastena Iliev Ivelin Georgieva Svetlana Petkova Nadezhda Feizi-Dehnayebi Mehran Nikolova Stoyanka Gerasimova Anelia International Journal of Molecular Sciences Spectral characteristics, in silico perspectives, density functional theory (DFT), and therapeutic potential of green-extracted phycocyanin from spirulina 11 e202300115 42 2023 Caminero Gomes Soares Artur Marques Sousa Gustavo Henrique Calil Raisa Ludmila Goulart Trossini Gustavo Henrique Molecular informatics Absorption matters: A closer look at popular oral bioavailability rules for drug approvals 2 10 2025 Mihalev Kaloyan Iliev Ivelin Georgieva Svetlana Scripta Scientifica Pharmaceutica Computational analysis of 3-monosubstituted isatin derivatives for physicochemical properties and drug-likeness 1537872 15 2025 Shah Mohibullah Zia Mahnoor Ahmad Iqra Umer Khan Muhammad Ejaz Hasan Alam Maqsood Aziz Shahid Nishan Umar Dib Hanna Ullah Riaz Frontiers in Cellular and Infection Microbiology Computational analysis of Ayurvedic metabolites for potential treatment of drug-resistant Candida auris 3 E15701638361318 22 2025 Agarwal Uma Tonk Rajiv Kumar Paliwal Swati Current Drug Discovery Technologies Importance of Computer-aided Drug Design in Modern Pharmaceutical Research 1981 Silverstein R M Bassler G C Marrill T C Spectrometric Identification of Organic Chemistry 2024 Ahmed Haya Ahmed Ahmed Al-Ani Ahmed Synthesis Of Pyrazoline Derivatives and Evaluation of Their Antimicrobial Activity 7 957-966 2 2023 Rincón Luis Ruiz Claudia Contreras Ricardo R Almarza Jorge Environmental Science: Advances Study of the NaOH (s)–CO 2 (g) reaction creating value for industry: green natrite production, energy, and its potential in different sustainable scenarios 122831 389 2023 Helaly Abdellatif A El-Bindary Ashraf A Elsayed Shadia A Journal of Molecular Liquids Synthesis and characterization of Co (II), Ni (II), Cu (II) and Zn (II) chelates: DFT calculations, molecular docking and biological applications 3 569-583 68 2025 Fahmy Omnia M Elnashar Rasha M Mahmoud Walaa H El-Sherif Ahmed Abdou Egyptian Journal of Chemistry Development of a Nanostructured Hydrazinyl Schiff Base Co (II) Complex-Functionalized Quartz Crystal Microbalance Sensor for Trace-Level Arsenic Detection in Aqueous Systems 5 497-511 16 2021 Palermo Giulia Spinello Angelo Saha Aakash Magistrato Alessandra Expert opinion on drug discovery Frontiers of metal-coordinating drug design 1 147-166 38 2024 Abd El-Lateef Hany M Ali Ali M Khalaf Mai M Abdou Aly Bulletin of the Chemical Society of Ethiopia New iron (III), cobalt (II), nickel (II), copper (II), zinc (II) mixed-ligand complexes: Synthesis, structural, DFT, molecular docking and antimicrobial analysis 3 533-541 34 2020 10.4314/bcse.v34i3.9 Hassan Ashraf S. Bulletin of the Chemical Society of Ethiopia Mixed isatin with 3-(2-(aryl)hydrazono)acetylacetone mn(ii), co(ii) and ni(ii) complexes: Antibacterial evaluation and molecular properties prediction