{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,29]],"date-time":"2026-09-29T00:04:03Z","timestamp":1790640243876,"version":"4.1.0"},"reference-count":63,"publisher":"MDPI AG","issue":"7","license":[{"start":{"date-parts":[[2022,4,3]],"date-time":"2022-04-03T00:00:00Z","timestamp":1648944000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"Graduate Studies and Scientific Research, King Faisal University, Saudi Arabia","award":["GRANT-200"],"award-info":[{"award-number":["GRANT-200"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["IJMS"],"abstract":"<jats:p>Two tetradentate dibasic chelating Schiff base iron (III) chelates were prepared from the reaction of 2,2\u2032-((1E,1\u2032E)-(1,2-phenylenebis(azanylylidene))bis(methanylylidene))bis(4-bromophenol) (PDBS) and 2,2\u2032-((1E,1\u2032E)-((4-chloro-1,2-phenylene)bis(azanylylidene))-bis(methanylylidene))bis(4-bromophenol) (CPBS) with Fe3+ ions. The prepared complexes were fully characterized with spectral and physicochemical tools such as IR, NMR, CHN analysis, TGA, UV-visible spectra, and magnetic moment measurements. Moreover, geometry optimizations for the synthesized ligands and complexes were conducted using the Gaussian09 program through the DFT approach, to find the best structures and key parameters. The prepared compounds were tested as antimicrobial agents against selected strains of bacteria and fungi. The results suggests that the CPBSFe complex has the highest activity, which is close to the reference. An MTT assay was used to screen the newly synthesized compounds against a variety of cell lines, including colon cancer cells, hepatic cellular carcinoma cells, and breast carcinoma cells. The results are expressed by IC50 value, in which the 48 \u00b5g\/mL value of the CPBSFe complex indicates its success as a potential anticancer agent. The antioxidant behavior of the two imine chelates was studied by DPPH assay. All the tested imine complexes show potent antioxidant activity compared to the standard Vitamin C. Furthermore, the in vitro assay and the mechanism of binding and interaction efficiency of the tested samples with the receptor of COVID-19 core protease viral protein (PDB ID: 6lu7) and the receptor of Gram-negative bacteria (Escherichia coli, PDB ID: 1fj4) were investigated using molecular docking experiments.<\/jats:p>","DOI":"10.3390\/ijms23073994","type":"journal-article","created":{"date-parts":[[2022,4,3]],"date-time":"2022-04-03T06:04:01Z","timestamp":1648965841000},"page":"3994","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":74,"title":["Fabrication, DFT Calculation, and Molecular Docking of Two Fe(III) Imine Chelates as Anti-COVID-19 and Pharmaceutical Drug Candidate"],"prefix":"10.3390","volume":"23","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-6610-393X","authenticated-orcid":false,"given":"Hany","family":"El-Lateef","sequence":"first","affiliation":[{"name":"Department of Chemistry, College of Science, King Faisal University, P.O. Box 400, Al-Ahsa 31982, Saudi Arabia"},{"name":"Chemistry Department, Faculty of Science, Sohag University, Sohag 82534, Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0599-9928","authenticated-orcid":false,"given":"Mai","family":"Khalaf","sequence":"additional","affiliation":[{"name":"Department of Chemistry, College of Science, King Faisal University, P.O. Box 400, Al-Ahsa 31982, Saudi Arabia"},{"name":"Chemistry Department, Faculty of Science, Sohag University, Sohag 82534, Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1289-0285","authenticated-orcid":false,"given":"Mohamed","family":"Shehata","sequence":"additional","affiliation":[{"name":"Chemistry Department, Faculty of Science, Cairo University, Giza P.O. Box 12613, Egypt"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3771-9011","authenticated-orcid":false,"given":"Ahmed","family":"Abu-Dief","sequence":"additional","affiliation":[{"name":"Chemistry Department, Faculty of Science, Sohag University, Sohag 82534, Egypt"},{"name":"Chemistry Department, College of Science, Taibah University, Madinah P.O. Box 344, Saudi Arabia"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2022,4,3]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"1103","DOI":"10.1007\/s00280-016-2976-z","article-title":"Platinum-based drugs: Past, present and future","volume":"77","author":"Dilruba","year":"2016","journal-title":"Cancer Chemother. Pharmacol."},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1038\/s41598-019-39179-1","article-title":"Biomolecular Interaction, Anti-Cancer and Anti-Angiogenic Properties of Cobalt(III) Schiff Base Complexes","volume":"9","author":"Ambika","year":"2019","journal-title":"Sci. Rep."},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"e3555","DOI":"10.1002\/aoc.3555","article-title":"Ni (II) and Cu (II) complexes with ONNO asymmetric tetradentate Schiff base ligand: Synthesis, spectroscopic characterization, theoretical calculations, DNA interaction and antimicrobial studies","volume":"31","author":"Mostafa","year":"2017","journal-title":"Appl. Organomet. Chem."},{"key":"ref_4","doi-asserted-by":"crossref","first-page":"52","DOI":"10.1016\/j.jksus.2017.05.011","article-title":"Development, structural investigation, DNA binding, anti-microbial screening and anticancer activities of two novel quari-dentate VO (II) and Mn (II) mononuclear complexes","volume":"31","year":"2019","journal-title":"J. King Saud Univ.-Sci."},{"key":"ref_5","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.poly.2018.06.049","article-title":"Coordination aspects in Schiff bases cocrystals","volume":"155","author":"Golbedaghi","year":"2018","journal-title":"Polyhedron"},{"key":"ref_6","doi-asserted-by":"crossref","first-page":"16","DOI":"10.1016\/j.ccr.2015.09.010","article-title":"Two-photon luminescent metal complexes for bioimaging and cancer phototherapy","volume":"310","author":"Chen","year":"2016","journal-title":"Coord. Chem. Rev."},{"key":"ref_7","doi-asserted-by":"crossref","first-page":"1420","DOI":"10.1016\/j.ccr.2007.09.005","article-title":"Catalytic activities of Schiff base Transition metal complexes","volume":"252","author":"Guptaand","year":"2008","journal-title":"Coord. Chem. Rev."},{"key":"ref_8","doi-asserted-by":"crossref","first-page":"143","DOI":"10.1016\/j.cplett.2013.08.104","article-title":"Quantum chemical analysis of salen\u2013aluminum complexes for organic light emitting diodes","volume":"585","author":"Kim","year":"2013","journal-title":"Chem. Phys. Lett."},{"key":"ref_9","doi-asserted-by":"crossref","first-page":"104","DOI":"10.1016\/j.ccr.2019.05.014","article-title":"Metallo(salen) complexes as versatile building blocks for the fabrication of molecular materials and devices with tuned properties","volume":"394","author":"Freire","year":"2019","journal-title":"Coord. Chem. Rev."},{"key":"ref_10","doi-asserted-by":"crossref","first-page":"40","DOI":"10.1016\/j.ica.2017.06.060","article-title":"Transition metal salen complexes in bioinorganic and medicinal chemistry","volume":"472","author":"Erxleben","year":"2018","journal-title":"Inorg. Chim. Acta"},{"key":"ref_11","doi-asserted-by":"crossref","first-page":"80","DOI":"10.1016\/j.ica.2017.07.051","article-title":"Urinary tract infection fighting potential of newly synthesized ruthenium carbonyl complex of N-dehydroacetic acid-N\u2032-o-vanillin-ethylenediamine","volume":"467","author":"Mir","year":"2017","journal-title":"Inorg. Chim. Acta"},{"key":"ref_12","doi-asserted-by":"crossref","first-page":"e6169","DOI":"10.1002\/aoc.6169","article-title":"Design, synthesis, structural inspection of Pd2+, VO2+, Mn2+, and Zn2+ chelates incorporating ferrocenyl thiophenol ligand: DNA interaction and pharmaceutical studies","volume":"35","author":"Aljohani","year":"2021","journal-title":"Appl. Organomet. Chem."},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"107643","DOI":"10.1016\/j.compbiolchem.2022.107643","article-title":"Synthesis, structural elucidation, DFT calculation, biological studies and DNA inter-action of some aryl hydrazone Cr3+, Fe3+, and Cu2+ chelates","volume":"97","author":"Aljohani","year":"2022","journal-title":"Comput. Biol. Chem."},{"key":"ref_14","first-page":"216","article-title":"Synthesis and antibacterial, antifungal activity of novel analogs of fluoro benzothiazole Schiff bases","volume":"3","author":"Sathe","year":"2010","journal-title":"J. Chem. Pharm. Sci."},{"key":"ref_15","doi-asserted-by":"crossref","first-page":"199","DOI":"10.1515\/revic-2020-0020","article-title":"Enhancement of Schiff base biological efficacy by metal coordination and introduction of metallic compounds as anticovid candidates: A simple overview","volume":"41","author":"Mir","year":"2021","journal-title":"Rev. Inorg. Chem."},{"key":"ref_16","doi-asserted-by":"crossref","first-page":"39","DOI":"10.1080\/17460441.2020.1819236","article-title":"Metallo therapeutics for COVID-19. Exploiting metal-based compounds for the discovery of new antiviral drugs","volume":"16","author":"Cirri","year":"2021","journal-title":"Expert Opin. Drug Discov."},{"key":"ref_17","doi-asserted-by":"crossref","first-page":"100157","DOI":"10.1016\/j.comtox.2021.100157","article-title":"Screening possible drug molecules for COVID-19. The example of vanadium (III\/IV\/V) complex molecules with computational chemistry and molecular docking","volume":"18","author":"Vlasiou","year":"2021","journal-title":"Comput. Toxicol."},{"key":"ref_18","doi-asserted-by":"crossref","first-page":"e5373","DOI":"10.1002\/aoc.5373","article-title":"A robust in vitro anticancer, antioxidant and antimicrobial agents based on new metal-azomethine chelates incorporating Ag (I), Pd (II) and VO (II) cations: Probing the aspects of DNA interaction","volume":"34","year":"2020","journal-title":"Appl. Organomet. Chem."},{"key":"ref_19","doi-asserted-by":"crossref","first-page":"e4174","DOI":"10.1002\/aoc.4174","article-title":"Sonochemical synthesis, structural inspection and semiconductor behavior of three new nano sized Cu (II), Co (II) and Ni (II) chelates based on tri-dentate NOO imine ligand as precursors for metal oxides","volume":"32","author":"Adam","year":"2018","journal-title":"Appl. Organomet. Chem."},{"key":"ref_20","doi-asserted-by":"crossref","first-page":"1373","DOI":"10.1007\/s10562-016-1755-0","article-title":"Some New Nano-sized Mononuclear Cu(II) Schiff Base Complexes: Design, Characterization, Molecular Modeling and Catalytic Potentials in Benzyl Alcohol Oxidation","volume":"146","author":"Adam","year":"2016","journal-title":"Catal. Lett."},{"key":"ref_21","doi-asserted-by":"crossref","first-page":"130693","DOI":"10.1016\/j.molstruc.2021.130693","article-title":"Synthesis and intensive characterization for novel Zn (II), Pd (II), Cr (III) and VO (II)-Schiff base complexes; DNA-interaction, DFT, drug-likeness and molecular docking studies","volume":"1242","author":"Aljohani","year":"2021","journal-title":"J. Mol. Struct."},{"key":"ref_22","doi-asserted-by":"crossref","first-page":"e4943","DOI":"10.1002\/aoc.4943","article-title":"Fabrication, spectroscopic characterization, calf thymus DNA binding investigation, antioxidant and anticancer activities of some antibiotic azomethine Cu (II), Pd (II), Zn (II) and Cr (III) complexes","volume":"33","author":"Shehata","year":"2019","journal-title":"Appl. Organomet. Chem."},{"key":"ref_23","doi-asserted-by":"crossref","first-page":"81","DOI":"10.1016\/S0010-8545(00)80009-0","article-title":"The Use of Conductivity Measurements in Organic Solvents for the Characterisation of Coordination Compounds","volume":"7","author":"Geary","year":"1971","journal-title":"Coord. Chem. Rev."},{"key":"ref_24","doi-asserted-by":"crossref","first-page":"e4009","DOI":"10.1002\/poc.4009","article-title":"Novel azomethine Pd (II)-and VO (II)-based metallo-pharmaceuticals as anticancer, antimicrobial, and antioxidant agents: Design, structural inspection, DFT investigation, and DNA interaction","volume":"32","author":"Shehata","year":"2019","journal-title":"J. Phys. Org. Chem."},{"key":"ref_25","doi-asserted-by":"crossref","first-page":"628","DOI":"10.1016\/j.saa.2008.01.023","article-title":"Spectral, XRD, SEM and biological activities of transition metal complexes of polydentate ligands containing thiazole moiety","volume":"71","author":"Neelakantan","year":"2008","journal-title":"Spectrochim. Acta A"},{"key":"ref_26","doi-asserted-by":"crossref","first-page":"e4527","DOI":"10.1002\/aoc.4527","article-title":"Synthesis, theoretical investigations, biocidal screening, DNA binding, in vitro cytotoxicity and molecular docking of novel Cu (II), Pd (II) and Ag (I) complexes of chlorobenzylidene Schiff base: Promising antibiotic and anticancer agents","volume":"32","author":"Adam","year":"2018","journal-title":"Appl. Organomet. Chem."},{"key":"ref_27","doi-asserted-by":"crossref","first-page":"118100","DOI":"10.1016\/j.molliq.2021.118100","article-title":"Synthesis and elucidation of binuclear thiazole-based complexes from Co (II) and Cu (II) ions: Conductometry, cytotoxicity and computational implementations for various verifications","volume":"349","author":"Alharbi","year":"2022","journal-title":"J. Mol. Liq."},{"key":"ref_28","unstructured":"Nakamoto, K. (1985). Infrared and Raman Spectra of Inorganic and Coordination Compounds, Part B, Wiley. [5th ed.]."},{"key":"ref_29","first-page":"131017","article-title":"Synthesis and intensive characterization for novel Zn (II), Pd (II), Cr (III) and VO (II)-Schiff base complexes; DNA-interaction, DFT, drug-likeness and molecular docking studies","volume":"1244","author":"Salah","year":"2021","journal-title":"J. Mol. Struct."},{"key":"ref_30","first-page":"161","article-title":"A ferrocene-based multi-signaling sensor molecule functions as a molecular switch Inorg","volume":"12","author":"Elanchezhian","year":"2009","journal-title":"Chem. Commun."},{"key":"ref_31","doi-asserted-by":"crossref","first-page":"115277","DOI":"10.1016\/j.molliq.2021.115277","article-title":"Synthesis and characterization of Fe (III), Pd (II) and Cu (II)-thiazole complexes; DFT, pharmacophore modeling, in-vitro assay and DNA binding studies","volume":"326","author":"Alzahrani","year":"2021","journal-title":"J. Mol. Liq."},{"key":"ref_32","doi-asserted-by":"crossref","first-page":"117700","DOI":"10.1016\/j.saa.2019.117700","article-title":"Synthesis and characterization of new Cr (III), Fe (III) and Cu (II) complexes incorporating multi-substituted aryl imidazole ligand: Structural, DFT, DNA binding, and biological implications","volume":"228","author":"Abdelhamid","year":"2020","journal-title":"Spectrochim. Acta A"},{"key":"ref_33","doi-asserted-by":"crossref","first-page":"1979","DOI":"10.1007\/s11164-020-04380-9","article-title":"Structural, conformational and therapeutic studies on new thiazole complexes: Drug-likeness and MOE-simulation assessments","volume":"47","author":"Alzahrani","year":"2021","journal-title":"Res. Chem. Intermed."},{"key":"ref_34","doi-asserted-by":"crossref","first-page":"e4030","DOI":"10.1002\/aoc.4030","article-title":"Synthesis, characterization and biological screening studies of mixed ligand complexes using flavonoids as precursors","volume":"32","author":"Porkodi","year":"2018","journal-title":"Appl. Organomet. Chem."},{"key":"ref_35","doi-asserted-by":"crossref","unstructured":"Al-Saeedi, S.I., Abdel-Rahman, L.H., Abu-Dief, A.M., Abdel-Fatah, S.M., Alotaibi, T.M., Alsalme, A.M., and Nafady, A. (2018). Catalytic Oxidation of Benzyl Alcohol Using Nanosized Cu\/Ni Schiff-Base Complexes and Their Metal Oxide Nanoparticles. Catalysts, 8.","DOI":"10.3390\/catal8100452"},{"key":"ref_36","first-page":"910","article-title":"Plant Extracts with Metal Ions as Potential Antimicrobial Agents","volume":"55","author":"Tweedy","year":"1964","journal-title":"Phytopathology"},{"key":"ref_37","doi-asserted-by":"crossref","first-page":"140","DOI":"10.1016\/j.bioorg.2016.10.009","article-title":"Some new nano-sized Fe (II), Cd (II) and Zn (II) Schiff base complexes as precursor for metal oxides: Sonochemical synthesis, characterization, DNA interaction, in vitro antimi-crobial and anticancer activities","volume":"69","year":"2016","journal-title":"Bioorg. Chem."},{"key":"ref_38","first-page":"1611","article-title":"Synthesis, structural characterization and antibacterial studies of some biosensitive mixed ligand copper(II) complexes","volume":"46","author":"Raman","year":"2007","journal-title":"Indian J. Chem. A"},{"key":"ref_39","doi-asserted-by":"crossref","first-page":"127034","DOI":"10.1016\/j.molstruc.2019.127034","article-title":"Facile synthesis, X-Ray structure of new multi-substituted aryl imidazole ligand, biological screening and DNA binding of its Cr (III), Fe (III) and Cu (II) coordination compounds as potential antibiotic and anticancer drugs","volume":"1200","author":"Abdelhamid","year":"2020","journal-title":"J. Mol. Struct."},{"key":"ref_40","doi-asserted-by":"crossref","first-page":"229","DOI":"10.1016\/j.saa.2012.12.011","article-title":"Synthesis, antimicrobial, DNA-binding and photonuclease studies of Cobalt(III) and Nickel(II) Schiff base complexes","volume":"105","author":"Gowda","year":"2013","journal-title":"Spectrochim. Acta Part A"},{"key":"ref_41","doi-asserted-by":"crossref","first-page":"943","DOI":"10.1007\/s13738-014-0557-9","article-title":"Tailoring, physicochemical characterization, anti-bacterial and DNA binding mode studies of Cu (II) Schiff bases amino acid bioactive agents incorporating 5-bromo-2-hydroxybenzaldehyde","volume":"12","author":"Nassr","year":"2015","journal-title":"J. Iran. Chem. Soc."},{"key":"ref_42","doi-asserted-by":"crossref","first-page":"980","DOI":"10.1016\/j.bbamem.2015.10.018","article-title":"Molecular mechanisms of membrane targeting antibiotics","volume":"1858","author":"Epand","year":"2016","journal-title":"Biochim. Biophys. Acta (BBA)-Biomembr."},{"key":"ref_43","doi-asserted-by":"crossref","first-page":"111162","DOI":"10.1016\/j.molliq.2019.111162","article-title":"Antimicrobial and anticancer activities of cobalt (III)-hydrazone complexes: Solubilities and chemical potentials of transfer in different organic co-solvent-water mixtures","volume":"290","author":"Mohamad","year":"2019","journal-title":"J. Mol. Liq."},{"key":"ref_44","doi-asserted-by":"crossref","first-page":"271","DOI":"10.1016\/j.jphotobiol.2017.04.003","article-title":"DNA interaction, antimicrobial, anticancer activities and molecular docking study of some new VO (II), Cr (III), Mn (II) and Ni (II) mononuclear chelates encompassing quaridentate imine ligand","volume":"170","author":"Aboelez","year":"2017","journal-title":"J. Photochem. Photobiol. B"},{"key":"ref_45","doi-asserted-by":"crossref","first-page":"763","DOI":"10.1139\/cjc-2020-0412","article-title":"Temperature and salt effects of the kinetic reactions of substituted 2-pyridylmethylene-8-quinolyl iron (II) complexes as antimicrobial, anticancer, and antioxidant agents with cyanide ions","volume":"99","author":"Mohamad","year":"2021","journal-title":"Can. J. Chem."},{"key":"ref_46","doi-asserted-by":"crossref","first-page":"3245","DOI":"10.1039\/c0dt01360a","article-title":"Palaniandavar M, Interaction of rac-[M (diimine) 3] 2+(M = Co, Ni) complexes with CT DNA: Role of 5, 6-dmp ligand on DNA binding and cleavage and cytotoxicity","volume":"40","author":"Ramakrishnan","year":"2011","journal-title":"Dalton Trans."},{"key":"ref_47","doi-asserted-by":"crossref","first-page":"109251","DOI":"10.1016\/j.inoche.2022.109251","article-title":"Development of Some Magnetic Metal-Organic Framework Nano Composites for Pharmaceutical Applications","volume":"138","author":"Alrashedee","year":"2022","journal-title":"Inorg. Chem. Commun."},{"key":"ref_48","doi-asserted-by":"crossref","first-page":"55","DOI":"10.1016\/j.ejmech.2016.06.005","article-title":"Combinatorial synthesis, in silico, molecular and biochemical studies of tetrazole-derived organic selenides with increased selectivity against hepatocellular carcinoma","volume":"122","author":"Shaaban","year":"2016","journal-title":"Eur. J. Med. Chem."},{"key":"ref_49","doi-asserted-by":"crossref","first-page":"68","DOI":"10.1038\/201068a0","article-title":"Kinetic Parameters from Thermogravimetric Data","volume":"201","author":"Coats","year":"1964","journal-title":"Nature"},{"key":"ref_50","doi-asserted-by":"crossref","first-page":"116797","DOI":"10.1016\/j.molliq.2021.116797","article-title":"Optimization for synthesized quinoline-based Cr3+, VO2+, Zn2+ and Pd2+ complexes: DNA interaction, bio-logical assay and in-silico treatments for verification","volume":"339","author":"Aljohani","year":"2021","journal-title":"J. Mol. Liq."},{"key":"ref_51","doi-asserted-by":"crossref","first-page":"232","DOI":"10.1016\/j.molstruc.2015.09.039","article-title":"Synthesis, structure elucidation, bio-logical screening, molecular modeling and DNA binding of some Cu (II) chelates incorporating imines derived from amino acids","volume":"1103","author":"Ismael","year":"2016","journal-title":"J. Mol. Struct."},{"key":"ref_52","doi-asserted-by":"crossref","first-page":"120","DOI":"10.1016\/j.jelechem.2015.02.023","article-title":"Electrochemical and theoretical quantum approaches on the inhibition of C1018 carbon steel corrosion in acidic medium containing chloride using some newly synthesized phenolic Schiff bases compounds","volume":"743","year":"2015","journal-title":"J. Electroanal. Chem."},{"key":"ref_53","doi-asserted-by":"crossref","first-page":"522","DOI":"10.1016\/j.molstruc.2016.10.078","article-title":"Corrosion inhibition of carbon steel pipelines by some novel Schiff base compounds during acidizing treatment of oil wells studied by electrochemical and quantum chemical methods","volume":"1130","author":"Mohamed","year":"2017","journal-title":"J. Mol. Struct."},{"key":"ref_54","doi-asserted-by":"crossref","first-page":"21071","DOI":"10.1021\/acsomega.1c02811","article-title":"Development of new thiazole complexes as powerful catalysts for synthesis of pyrazole-4-carbonitrile derivatives under ultrasonic irradiation condition supported by DFT studies","volume":"6","author":"Alsawat","year":"2021","journal-title":"ACS Omega"},{"key":"ref_55","unstructured":"Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Scalmani, G., Barone, V., Petersson, G.A., and Nakatsuji, H. (2013). Gaussian 09, Revision, D.01, Gaussian, Inc.. Available online: https:\/\/gaussian.com\/g09citation."},{"key":"ref_56","doi-asserted-by":"crossref","first-page":"1437","DOI":"10.1128\/jcm.26.8.1437-1441.1988","article-title":"Multicenter evaluation of four methods of yeast inoculum preparation","volume":"26","author":"Pfaller","year":"1988","journal-title":"J. Clin. Microbiol."},{"key":"ref_57","doi-asserted-by":"crossref","unstructured":"Saddik, M.S., Elsayed, M.M.A., El-Mokhtar, M.A., Sedky, H., Abdel-Aleem, J.A., Abu-Dief, A.M., Al-Hakkani, M.F., Hussein, H.L., Al-Shelkamy, S.A., and Meligy, F.Y. (2022). Tailoring of Novel Azithromycin-Loaded Zinc Oxide Nanoparticles for Wound Healing. Pharmaceutics, 14.","DOI":"10.3390\/pharmaceutics14010111"},{"key":"ref_58","first-page":"55","article-title":"Rapid colorimetric assay for cellular growth and survival. Immunol","volume":"65","author":"Mosmann","year":"1983","journal-title":"J. Methods"},{"key":"ref_59","doi-asserted-by":"crossref","unstructured":"Saddik, M.S., Elsayed, M., Abdelkader, M.S.A., El-Mokhtar, M.A., Abdel-Aleem, J.A., Abu-Dief, A.M., Al-Hakkani, M.F., Farghaly, H.S., and Abou-Taleb, H.A. (2021). Novel green biosynthesis of 5-fluorouracil chromium nanoparticles using harpullia pendula extract for treatment of colorectal cancer. Pharmaceutics, 13.","DOI":"10.3390\/pharmaceutics13020226"},{"key":"ref_60","doi-asserted-by":"crossref","first-page":"e6154","DOI":"10.1002\/aoc.6154","article-title":"Development and structure elucidation of new VO2+, Mn2+, Zn2+, and Pd2+ complexes based on azomethine ferrocenyl ligand: DNA interaction, antimicrobial, antioxidant, anticancer activities, and molecular docking","volume":"35","author":"Aljohani","year":"2021","journal-title":"Appl. Organomet. Chem."},{"key":"ref_61","unstructured":"(2021). Molecular Operating Environment (MOE), 2019.01, Chemical Computing Group ULC. Available online: https:\/\/www.chemcomp.com\/Research-Citing_MOE.htm."},{"key":"ref_62","doi-asserted-by":"crossref","first-page":"357","DOI":"10.1042\/BJ20091020","article-title":"Binary and ternary crystal structure analyses of a novel inhibitor with 17\u03b2-HSD type 1: A lead compound for breast cancer therapy","volume":"424","author":"Mazumdar","year":"2009","journal-title":"Biochem. J."},{"key":"ref_63","doi-asserted-by":"crossref","first-page":"6551","DOI":"10.1074\/jbc.M007101200","article-title":"Inhibition of beta-ketoacyl-acyl carrier protein synthases by thiolactomycin and cerulenin. Structure and mechanism","volume":"276","author":"Price","year":"2001","journal-title":"J. Biol. Chem."}],"container-title":["International Journal of Molecular Sciences"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/1422-0067\/23\/7\/3994\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,10]],"date-time":"2025-10-10T22:49:26Z","timestamp":1760136566000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/1422-0067\/23\/7\/3994"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,4,3]]},"references-count":63,"journal-issue":{"issue":"7","published-online":{"date-parts":[[2022,4]]}},"alternative-id":["ijms23073994"],"URL":"https:\/\/doi.org\/10.3390\/ijms23073994","relation":{},"ISSN":["1422-0067"],"issn-type":[{"value":"1422-0067","type":"electronic"}],"subject":[],"published":{"date-parts":[[2022,4,3]]}}}