Asst. Prof. Mehran FEIZI DEH NAYEBI

1. Combined experimental and theoretical investigation of the (benzoimidazol-2-yl)-methanone ligand and its Ru(III) complex: structural elucidation, stability determination, corrosion inhibition, energy storage and bioactivity applications

Shilkamy H. A. E., Feizi-Dehnayebi M., AKKOÇ FEIZI DEH NAYEBI S., Alahmadi S. M., Khashoqji M. M., Al-Youbi A. N., et al.

BMC Chemistry , vol.20, no.1, 2026 (SCI-Expanded, Scopus)

2. Biological activity, DNA/BSA interaction and computational insights into a tetrazole-based compound as a potential antimicrobial agent

FEIZI DEH NAYEBI M., Mohammadi Ziarani G., Farzandi F., Farsadrooh M., Reiisi S., Rakhshani S., et al.

Journal of computer-aided molecular design , vol.40, no.1, 2026 (SCI-Expanded, Scopus)

3. Integrated experimental and computational study of oxime-based derivatives: Antiproliferative evaluation, gene expression, DNA minor groove binding, detailed DFT, docking, and molecular dynamics analyses

Feizi-Dehnayebi M., Mohammadi Ziarani G., Panahande Z., Dehghanian E., Reiisi S., Goodarzi M., et al.

Computational Biology and Chemistry , vol.124, 2026 (SCI-Expanded, Scopus)

4. Synthesis, structural features, computational study along with molecular docking examination of organosulfur mercaptoacetic acid based compound

Osmanova S., Kurbanova M., Ashfaq M., Feizi-Dehnayebi M., Tahir M. N., Şahin O.

Structural Chemistry , vol.37, no.5, pp.2427-2441, 2026 (SCI-Expanded, Scopus)

5. Reenvisioned Pyrazine–Dangling Cu(II) Complex: Advanced Synthesis, Characterization, Crystal Structure, Integrated-DFT Assessment, Antibacterial, and In Vitro Cytotoxicity Rationalization

Barman L., Majumdar D., Philip J. E., Das D., Feizi-Dehnayebi M., Roy S., et al.

ChemistrySelect , vol.11, no.33, 2026 (SCI-Expanded, Scopus)

6. Green ultrasound-assisted synthesis of novel nanoscale schiff base complexes: Structural characterization and multifaceted biological applications supported by theoretical approaches

El-Dabea T., Feizi-Dehnayebi M., Alsehli A. H., Al-Farraj E. S., Alahmadi N., Said M. A., et al.

Journal of the Indian Chemical Society , vol.103, no.9, 2026 (SCI-Expanded, Scopus)

7. Coordination-dependent electrochemical nitrite sensing in Zn(II) Schiff base complexes: Experimental–computational insights

Akbari Z., Bressi V., Iannazzo D., Montazerozohori M., Espro C., Feizi-Dehnayebi M., et al.

Microchemical Journal , vol.228, 2026 (SCI-Expanded, Scopus)

8. Graphene Oxide-Supported Chromium-Containing Polyoxometalate as an Efficient Heterogeneous Catalyst for Nitroarene Reduction Under Mild Conditions

Khalaji-Verjani M., Masteri-Farahani M., Badiei A., Mohammadi Ziarani G., AKKOÇ FEIZI DEH NAYEBI S., FEIZI DEH NAYEBI M.

Global Challenges , vol.10, no.9, 2026 (SCI-Expanded, Scopus)

9. A series of sulfadiazine based compounds: synthesis, characterizations, antibacterial study, DFT and theoretical molecular docking analysis

Iqbal A., Ali A., Tahir M. N., Feizi-Dehnayebi M., Bilal H., Ashfaq M.

Journal of Molecular Structure , vol.1367, 2026 (SCI-Expanded, Scopus)

10. Heteroleptic zinc(II) complexes based on tridentate hydrazide Schiff bases for DNA binding and alkaline phosphatase inhibition studies

Khan U. A., Naz S., Iqbal M., Ali S., Bhattacharya S., Kortz U., et al.

Journal of Molecular Structure , vol.1366, 2026 (SCI-Expanded, Scopus)

11. Engineering 2,4,6-Triaminopyrimidine-Functionalized Fumed Silica for Highly Selective Hg2+ Detection: Spectroscopic and Theoretical Elucidations

Mohammadi Ziarani G., Soleymani F., Panahande Z., Ahmadi Z., Badiei A., AKKOÇ FEIZI DEH NAYEBI S., et al.

ChemistryOpen , vol.15, no.8, 2026 (SCI-Expanded, Scopus)

12. Zeolitic Imidazolate Framework-8 in Piezo-Assisted Mechanochemical Oxidation Reactions

Asgari S., Mohammadi Ziarani G., Naderahmadian A., Badiei A., AKKOÇ FEIZI DEH NAYEBI S., Feizi-Dehnayebi M.

ChemistryOpen , vol.15, no.8, 2026 (SCI-Expanded, Scopus)

13. Synthesis and multilevel evaluation of benzimidazole-based anticancer compounds: DNA/serum albumin interaction, and in-depth theoretical insights

Kundu S., AKKOÇ FEIZI DEH NAYEBI S., ERZURUMLU Y., Alhag S. K., Alkeridis L. A., Feizi-Dehnayebi M.

Molecular and Cellular Biochemistry , vol.481, no.8, pp.3397-3418, 2026 (SCI-Expanded, Scopus)

14. Imidazole-based chemosensor for the detection of Ag+ ions: Antimicrobial activity, DFT insight, and molecular docking modeling

Goodarzi M., Mohammadi Ziarani G., Panahande Z., Reiisi S., FEIZI DEH NAYEBI M.

Results in Chemistry , vol.27, 2026 (ESCI, Scopus)

15. A Pyrimidine-Based Turn-On Fluorescent Probe for Highly Sensitive Detection of Copper(II) Ions in Environmental Samples: Combined Experimental and DFT Mechanistic Investigation

Farsadrooh M., Mohammadi Ziarani G., Farzandi F., Elyasi Z., Feizi-Dehnayebi M.

Journal of Fluorescence , vol.36, no.7, pp.4445-4459, 2026 (SCI-Expanded, Scopus)

16. Synthesis and application of SBA-Pr-N-Is@Pd as an efficient catalyst in the reduction of nitroarenes: Experimental and DFT insights

Zamiran F., Mohammadi Ziarani G., Badiei A., Akhgar M., AKKOÇ S., Feizi-Dehnayebi M.

Biochemical and Biophysical Research Communications , vol.817, 2026 (SCI-Expanded, Scopus)

17. Theoretical Insights into the Anti-Corrosion Effectiveness of Indole-Based Compounds on Surfaces of Iron: An Integrated DFT Along with Monte Carlo Simulations Studies

Kareem R. O., Al-Salihi K. J., Omer R. A., Azeez Y. H., Ahmed L. O., Ashfaq M., et al.

High Temperature Corrosion of Materials , vol.103, no.3, 2026 (SCI-Expanded, Scopus)

18. Synergistic and Molecular Docking Evaluation of Doxycycline Combined With Tannic, Salicylic, and Boric Acids Against Staphylococcus aureus

Al-Aklah K., Reiisi S., Rigi G., Heidari R., Feizi-Dehnayebi M.

Journal of Food Safety , vol.46, no.3, 2026 (SCI-Expanded, Scopus)

19. Synthesis, Crystal Structure, Hirshfeld Surface, RDG, ELF, LOL, DFT, and Molecular Docking Studies of a Binuclear Copper(II) Carboxylate Complex

Ajibola A. A., Feizi-Dehnayebi M., AKKOÇ FEIZI DEH NAYEBI S., Sieroń L., Maniukiewicz W.

ChemistryOpen , vol.15, no.6, 2026 (SCI-Expanded, Scopus)

20. Precision redox oncology: Exploiting antioxidant dependencies and oxidative vulnerabilities in cancer

Sulaiman S. H., Omer R. A., Barzani K. I. S., Barzani H. A., Ashfaq M., Smerat A., et al.

Chemical Physics Impact , vol.12, 2026 (ESCI, Scopus)

21. Fluorescent nanosensor based on Fumed-silica modified with terephthalaldehyde and indandione for selective Hg2+ detection: DFT and experimental viewpoints

Mohammadi Ziarani G., Shaabani S., Panahande Z., Badiei A., FEIZI DEH NAYEBI M.

Journal of Molecular Structure , vol.1359, 2026 (SCI-Expanded, Scopus)

22. Synergistic anticancer effects of tamoxifen in combination with fisetin and chrysin on breast cancer cells: insights into viability, migration, and apoptosis

Karami-Dehkordi N., Reiisi S., Feizi-Dehnayebi M.

Naunyn-Schmiedeberg's Archives of Pharmacology , vol.399, no.7, pp.10893-10908, 2026 (SCI-Expanded, Scopus)

23. A new series of pyrazoles-based compounds: synthesis, HOMO–LUMO analysis, MEP, quantum reactivity, and in silico covid-19 activity

Akın N., Sunucu-Karafakıoğlu Y., AKKOÇ S., Feizi-Dehnayebi M., Başaran E., İLHAN İ. Ö.

Structural Chemistry , vol.37, no.2, pp.841-857, 2026 (SCI-Expanded, Scopus)

24. Tetrazole-based fluorescent probe for sensitive detection of Cu2+: photoluminescence, biological activity, DNA/BSA interaction, and theoretical insights

Farzandi F., Mohammadi Ziarani G., Reiisi S., Badiei A., FEIZI DEH NAYEBI M.

Results in Chemistry , vol.20, 2026 (ESCI, Scopus)

25. Synthesis, Antimicrobial and Anti-Inflammatory Activity of a Novel Styrylquinolinium Iodide Bearing a Naphthalene Moiety

Zagorchev S., Todorova M., Pencheva M., Bakalska R., Kolev T., Cherneva E., et al.

Crystals , vol.16, no.2, 2026 (SCI-Expanded, Scopus)

26. Development of benzoxazole-2-yl-guanidine based Cu (II), Co (II), and Ni (II) complexes: Structural features, physicochemical aspects underpinning their pharmaceutical potential supported with theoretical approaches

Abu-Dief A. M., Mohamed S. B., Feizi-Dehnayebi M., Omar I., Ayoub M. A., Fathalla M., et al.

Biochimica et Biophysica Acta - General Subjects , vol.1870, no.2, 2026 (SCI-Expanded, Scopus)

27. Eugenol-loaded zinc oxide nanoparticles enhance paclitaxel sensitivity in breast Cancer cells: A combined synergistic nanomedicine and theoretical approach

Rowhani Y., Reiisi S., Feizi-Dehnayebi M.

Results in Chemistry , vol.19, 2026 (ESCI, Scopus)

28. Copper (II) Complex Based on Salicylate and Bipyridine-Type Ligands: Synthesis, Characterizations, DFT Insights, and Molecular Docking Simulation

Muhammed M. E., Meshedi A. Q., Tahir M. N., Feizi-Dehnayebi M., Ashfaq M., Munawar K. S., et al.

Chemistry Africa , vol.9, no.1, 2026 (ESCI, Scopus)

29. Sulfaguanidine-based schiff bases, synthesis, crystal structure, FT-IR, hirshfeld surface analysis, and concise computational study

Iqbal A., Tahir M. N., Ali A., Feizi-Dehnayebi M., Bilal H., Munawar K. S., et al.

Structural Chemistry , 2026 (SCI-Expanded, Scopus)

30. Isatin-based chemosensor for CN− ions detection: A hybrid theoretical-experimental model

Panahande Z., Mohammadi Ziarani G., Badiei A., FEIZI DEH NAYEBI M.

Inorganic Chemistry Communications , vol.183, 2026 (SCI-Expanded, Scopus)

31. Biological evaluations and biomolecular interactions along with computational insights of arylidene isatin hydrazones synthesized using nanocatalyst

Feizi-Dehnayebi M., Mohammadi Ziarani G., Reiisi S., Farsadrooh M., Panahande Z., Mansouri-Torshizi H., et al.

Scientific Reports , vol.15, no.1, 2025 (SCI-Expanded, Scopus)

32. A novel heterogeneous ionic liquid-functionalized nanoporous material of SBA-15-based fluorescent chemosensor for ultra-selective Hg2+ detection coupled with DFT mechanistic insights

Mohammadi Ziarani G., Rezaei Miandashti N., FEIZI DEH NAYEBI M., Moradi-Chaleshtori F., Asgari S., Badiei A.

Journal of Molecular Liquids , vol.438, 2025 (SCI-Expanded, Scopus)

33. Detection of mercury (II) ions from wastewater using fluorescent mesoporous materials: Theoretical and experimental insights

Panahande Z., Mohammadi Ziarani G., FEIZI DEH NAYEBI M., Badiei A., Rtimi S., Ganachari S. V., et al.

Microchemical Journal , vol.218, 2025 (SCI-Expanded, Scopus)

34. In silico discovery of multi-target small molecules and efficient siRNA design to overcome drug resistance in breast cancer via local therapy

Hashemi S. M. J., Ghalehnoei H., Barzegar A., FEIZI DEH NAYEBI M., Akhtari J., Mellati A.

Journal of Molecular Graphics and Modelling , vol.140, 2025 (SCI-Expanded, Scopus)

35. Enhancing sensor performance through the surface functionalization of SBA-15 with 2-chloroquinoline-3-carbaldehyde and sulphaguanidine verified via DFT insights

Mohammadi Ziarani G., Arvish A., Panahande Z., Badiei A., FEIZI DEH NAYEBI M.

Chemical Engineering Journal Advances , vol.24, 2025 (ESCI, Scopus)

36. Synthesis, characterization, sensing performance, and computational insights of a new heterogeneous ionic liquid of SBA-Pr-Py-Car for selective and sensitive detection of Hg2+ ions

Mohammadi Ziarani G., Tavana S. M., Panahande Z., Feizi-Dehnayebi M., Badiei A., AKKOÇ S.

Journal of Molecular Liquids , vol.435, 2025 (SCI-Expanded, Scopus)

37. Asymmetrical curcumin derivative: synthesis, structural exploration, Hirshfeld surface analysis, and computational study

Abbo H., Ashfaq M., FEIZI DEH NAYEBI M., Titinchi S.

Structural Chemistry , vol.36, no.5, pp.1855-1870, 2025 (SCI-Expanded, Scopus)

38. Exploring the anticancer potential of novel benzimidazolium Salts: Synthesis, biological evaluation, DFT perspective, and docking simulation for inhibition of VEGFR2

Kundu S., Feizi-Dehnayebi M., AKKOÇ S.

Biochemical and Biophysical Research Communications , vol.780, 2025 (SCI-Expanded, Scopus)

39. Flavonoids as Promising Akt1 Inhibitors in Cancer Medicine: Insights From Molecular Docking, Dynamics, DFT Calculations, and In Vitro Validation

Jamshidi S., Eghbalian A., Shojaei S., Taherkhani A., FEIZI DEH NAYEBI M.

Cancer Reports , vol.8, no.8, 2025 (ESCI, Scopus)

40. Biogenic synthesis of silver nanoparticles for colorimetric detection of Fe3+ in environmental samples: DFT calculations and molecular docking studies

Azizi-Khereshki N., Zavvar Mousavi H., Farsadrooh M., Evazalipour M., FEIZI DEH NAYEBI M., Mohammadi Ziarani G., et al.

Journal of Environmental Management , vol.387, 2025 (SCI-Expanded, Scopus)

41. Synthesis, DFT calculation, and molecular docking simulation of spirooxindoles based Creatinine chemosensor of Cu2+

Mohammadi Ziarani G., Shamkhali N., Panahande Z., FEIZI DEH NAYEBI M., Badiei A.

Results in Chemistry , vol.16, 2025 (ESCI, Scopus)

42. Probing the biological activity of isatin derivatives against human lung cancer A549 cells: Cytotoxicity, CT-DNA/BSA binding, DFT/TD-DFT, topology, ADME-Tox, docking and dynamic simulations

FEIZI DEH NAYEBI M., Mohammadi Ziarani G., Lohith T., Ghareghomi S., Panahande Z., Farsadrooh M., et al.

Journal of Molecular Liquids , vol.428, 2025 (SCI-Expanded, Scopus)

43. Benzoguanamine dimer as a novel fluorophore probe for Hg2+ion detection in Pampus argenteus fish supported by DFT approach

Hemmati R., Abdi A., FEIZI DEH NAYEBI M., Farajzadeh M., Mohammadi Ziarani G., Banitalebi A., et al.

Journal of Environmental Chemical Engineering , vol.13, no.3, 2025 (SCI-Expanded, Scopus)

44. In-silico studies of 3-tert-butyl-7-[2-phenyl ethenyl]-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4] triazin-4-one as a Potential SARS-CoV-2 Inhibitor: Insights from an experimental and computational approach

Chandra C., Lohith T., Gayathri B., FEIZI DEH NAYEBI M., V． K., Kumar S., et al.

Journal of Molecular Structure , vol.1330, 2025 (SCI-Expanded, Scopus)

45. Fabrication, structural inspection, stability studies in solution and DFT calculations of some novel complexes drived from 4-(Benzothiazol-2-yliminomethyl)-phenol ligand: Pharmaceutical applications supported by molecular docking approach

Abu-Dief A. M., FEIZI DEH NAYEBI M., Nafady A., Almalki M. A., Kassem A. M., Abu Al-Ola K. A., et al.

Journal of Molecular Structure , vol.1328, 2025 (SCI-Expanded, Scopus)

46. Enhanced Corrosion Protection as a Sustainable Approach for Nickel Using Novel FeL Salen Complex: Electrochemical Investigation and DFT Insights

Shilkamy H. A. E., Salaheldeen M., Zhukov A., El-Kasaby R., FEIZI DEH NAYEBI M., Alharas M. M. A., et al.

Metals , vol.15, no.4, 2025 (SCI-Expanded, Scopus)

47. Functionalizing UiO-66-NH2 by 4‑chloro-3-formylcoumarin, as an optical chemosensor of Al3+ and F− and its computational studies

Mohammadi Ziarani G., Moradi-Chaleshtori F., Mirhosseyni M., FEIZI DEH NAYEBI M., Badiei A.

Journal of Molecular Structure , vol.1325, 2025 (SCI-Expanded, Scopus)

48. Synthesis and theoretical investigation of a new Hg2+ chemosensor based nanomagnetic particle (Fe3O4@SiO2@Pr‑NCIM)

Dehghani N., Mohammadi Ziarani G., FEIZI DEH NAYEBI M., Mirhosseyni M., Badiei A.

Materials Research Bulletin , vol.183, 2025 (SCI-Expanded, Scopus)

49. Synthesis, Cytotoxic and Genotoxic Evaluation of Drug-Loaded Silver Nanoparticles with Mebeverine and Its Analog

Stoyanova M., Milusheva M., Georgieva M., Ivanov P., Miloshev G., Krasteva N., et al.

Pharmaceuticals , vol.18, no.3, 2025 (SCI-Expanded, Scopus)

50. Comprehensive evaluation of purine analogues: Cytotoxic and antioxidant activities, enzyme inhibition, DFT insights, and molecular docking analysis

Canakdag M., Feizi-Dehnayebi M., Kundu S., Sahin D., İLHAN İ. Ö., Alhag S. K., et al.

Journal of Molecular Structure , vol.1323, 2025 (SCI-Expanded, Scopus)

51. Synthesis, crystal structure, hirshfeld surface analysis, and computational studies of dimeric and polymeric cadmium complexes

Meshedi A. Q., Kazim M. M., Ashfaq M., FEIZI DEH NAYEBI M., Tahir M. N., Munawar K. S., et al.

Journal of Molecular Structure , vol.1322, 2025 (SCI-Expanded, Scopus)

52. Crystal structure, Hirshfeld surface analysis, computational study and molecular docking simulation of 4-aminoantipyrine derivative

Tahir M. N., Ashfaq M., FEIZI DEH NAYEBI M., Munawar K. S., Atalay Ş., Dege N., et al.

Journal of Molecular Structure , vol.1320, 2025 (SCI-Expanded, Scopus)

53. Quantitative investigation of the nature of non-covalent interactions in 2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-N-phenyl-2-thioxoacetamide: insights from crystallographic, DFT analysis, molecular docking, and molecular dynamics simulation

Lohith T., Ravi Singh K., FEIZI DEH NAYEBI M., Santhosh C., Kishorkumar S., Sridhar M., et al.

Molecular Physics , vol.123, no.15, 2025 (SCI-Expanded, Scopus)

54. Synthesis, Anti-Inflammatory Activity, and Docking Simulation of a Novel Styryl Quinolinium Derivative

Todorova M., Bakalska R., FEIZI DEH NAYEBI M., Ziarani G. M., Pencheva M., Stojnova K., et al.

Applied Sciences (Switzerland) , vol.15, no.1, 2025 (SCI-Expanded, Scopus)

55. Juglone-derived Eu(III) and Gd(III) complexes: synthesis, characterization, photoluminescence properties, cytotoxic activities, thermal analyses, DFT perspectives, and VEGFR2 docking simulation

Sarıoğlu A. O., FEIZI DEH NAYEBI M., Birimoğlu T., Taşdemir D., Güler S., Köse A., et al.

Journal of Coordination Chemistry , vol.78, no.19, pp.2230-2250, 2025 (SCI-Expanded, Scopus)

56. Green corrosion inhibitors for nickel in acidic media utilizing novel imine ligand and its Zn (II) metal chelate supported by DFT calculation

El-Shafy Shilkamy H. A., El-Khatib R. M., FEIZI DEH NAYEBI M., Alharas M. M., AL-Faze R., Abu-Dief A. M.

Journal of Molecular Liquids , vol.416, 2024 (SCI-Expanded, Scopus)

57. Synthesis, spectral characterizations, computational studies and biological investigation of 4-(4-(2-hydroxyethyl)phenylamino)-4-oxobutanoic acid and its trimethyltin(IV) complex

Parveen B., Shahzadi S., Ali S., FEIZI DEH NAYEBI M., Munawar K. S., Ashfaq M., et al.

Journal of Molecular Structure , vol.1315, 2024 (SCI-Expanded, Scopus)

58. Dual Antimicrobial-Anticancer Potential, Hydrolysis, and DNA/BSA Binding Affinity of a Novel Water-Soluble Ruthenium-Arene Ethylenediamine Schiff base (RAES) Organometallic

Zahirović A., Fetahović S., FEIZI DEH NAYEBI M., Višnjevac A., Bešta-Gajević R., Kozarić A., et al.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , vol.318, 2024 (SCI-Expanded, Scopus)

59. Fumed-Si-Pr-Ald-Barb as a Fluorescent Chemosensor for the Hg2+ Detection and Cr2O72− Ions: A Combined Experimental and Computational Perspective

Mohammadi Ziarani G., Rezakhani M., FEIZI DEH NAYEBI M., Nikolova S.

Molecules , vol.29, no.20, 2024 (SCI-Expanded, Scopus)

60. Substituent effect in salicylaldehyde 2-furoic acid hydrazones: Theoretical and experimental insights into DNA/BSA affinity modulation, antimicrobial and antioxidant activity

Zahirović A., Fetahović S., FEIZI DEH NAYEBI M., Bešta-Gajević R., Dizdar M., Ostojić J., et al.

Journal of Molecular Structure , vol.1312, 2024 (SCI-Expanded, Scopus)

61. Spectral Characteristics, In Silico Perspectives, Density Functional Theory (DFT), and Therapeutic Potential of Green-Extracted Phycocyanin from Spirulina

Andonova V., Nikolova K., Iliev I., Georgieva S., Petkova N., FEIZI DEH NAYEBI M., et al.

International Journal of Molecular Sciences , vol.25, no.17, 2024 (SCI-Expanded, Scopus)

62. 8-Aminoquinoline derived two Schiff base platforms: Synthesis, characterization, DFT insights, corrosion inhibitor, molecular docking, and pH-dependent antibacterial study

Majumdar D., Chatterjee A., FEIZI DEH NAYEBI M., Kiran N. S., TÜZÜN B., Mishra D.

Heliyon , vol.10, no.15, 2024 (SCI-Expanded, Scopus)

63. Assessment of the electrostatic binding of ferrocenylmethyl-nitroaniline derivatives to DNA: A combined experimental and theoretical study

Lanez T., FEIZI DEH NAYEBI M., Lanez E.

Journal of Molecular Structure , vol.1308, 2024 (SCI-Expanded, Scopus)

64. Biological Activities, DFT Calculations, and Molecular Docking Simulation of Thymol-Based Compounds

Sahin D., Kepekci R. A., Feizi-Dehnayebi M., AKKOÇ S., Cuevas-Vicario J. V., Micale N.

ChemistrySelect , vol.9, no.23, 2024 (SCI-Expanded, Scopus)

65. Biological evaluation, DFT, MEP, HOMO-LUMO analysis and ensemble docking studies of Zn(II) complexes of bidentate and tetradentate Schiff base ligands as antileukemia agents

Akbari Z., Stagno C., Iraci N., Efferth T., Omer E. A., Piperno A., et al.

Journal of Molecular Structure , vol.1301, 2024 (SCI-Expanded, Scopus)

66. Development of tripodal imine metal chelates: Synthesis, physicochemical inspection, theoretical studies and biomedical evaluation

Qasem H. A., Sayed F. N., FEIZI DEH NAYEBI M., Al-Ghamdi K., Omar I., Mohamed G. G., et al.

Inorganic Chemistry Communications , vol.162, 2024 (SCI-Expanded, Scopus)

67. Synthesize, structural inspection, stoichiometry in solution and DFT calculation of some novel mixed ligand complexes: DNA binding, biomedical applications and molecular docking approach

Abu-Dief A. M., El-Dabea T., El-Khatib R. M., FEIZI DEH NAYEBI M., Aljohani F. S., Al-Ghamdi K., et al.

Journal of Molecular Liquids , vol.399, 2024 (SCI-Expanded, Scopus)

68. One-dimensional polymer of copper with salicylic acid and pyridine linkers: Synthesis, characterizations, solid state assembly investigation by hirshfeld surface analysis, and computational studies

M A. Q., Tahir M. N., Munawar K. S., FEIZI DEH NAYEBI M., Ashfaq M., S H. S., et al.

Journal of Molecular Structure , vol.1297, 2024 (SCI-Expanded, Scopus)

69. Novel rod-like [Cu(phen)2(OAc)]·PF6 complex for high-performance visible-light-driven photocatalytic degradation of hazardous organic dyes: DFT approach, Hirshfeld and fingerprint plot analysis

Zinatloo-Ajabshir S., Rakhshani S., Mehrabadi Z., Farsadrooh M., FEIZI DEH NAYEBI M., Rakhshani S., et al.

Journal of Environmental Management , vol.350, 2024 (SCI-Expanded, Scopus)

70. Synthesis, spectroscopic characterizations, single crystal XRD, supramolecular assembly inspection via hirshfeld surface analysis, and DFT study of a hydroxy functionalized schiff base Cu(II) complex

Inac H., Ashfaq M., Dege N., FEIZI DEH NAYEBI M., Munawar K. S., Yağcı N. K., et al.

Journal of Molecular Structure , vol.1295, 2024 (SCI-Expanded, Scopus)

71. Computational and experimental examinations of new antitumor palladium(II) complex: CT-DNA-/BSA-binding, in-silico prediction, DFT perspective, docking, molecular dynamics simulation and ONIOM

Dorafshan Tabatabai A. S., Dehghanian E., Mansouri-Torshizi H., FEIZI DEH NAYEBI M.

Journal of Biomolecular Structure and Dynamics , vol.42, no.10, pp.5447-5469, 2024 (SCI-Expanded, Scopus)

72. A Hydrazone Derivative: Synthesis, Crystal Structure, Supramolecular Assembly Exploration by Hirshfeld Surface Analysis and Computational Study

Kurbanova M., Ashfaq M., Sadigova A., FEIZI DEH NAYEBI M., Maharramov A., Tahir M.

Journal of Structural Chemistry , vol.65, no.1, pp.92-106, 2024 (SCI-Expanded, Scopus)

73. Novel Anthranilic Acid Hybrids—An Alternative Weapon against Inflammatory Diseases

Milusheva M., Todorova M., Gledacheva V., Stefanova I., FEIZI DEH NAYEBI M., Pencheva M., et al.

Pharmaceuticals , vol.16, no.12, 2023 (SCI-Expanded, Scopus)

74. Synthesis, Molecular Docking, and Biological Evaluation of Novel Anthranilic Acid Hybrid and Its Diamides as Antispasmodics

Milusheva M., Gledacheva V., Stefanova I., FEIZI DEH NAYEBI M., Mihaylova R., Nedialkov P., et al.

International Journal of Molecular Sciences , vol.24, no.18, 2023 (SCI-Expanded, Scopus)

75. Drug-Delivery Silver Nanoparticles: A New Perspective for Phenindione as an Anticoagulant

Nikolova S., Milusheva M., Gledacheva V., FEIZI DEH NAYEBI M., Kaynarova L., Georgieva D., et al.

Biomedicines , vol.11, no.8, 2023 (SCI-Expanded, Scopus)

76. Biological activity of bis-(morpholineacetato)palladium(II) complex: Preparation, structural elucidation, cytotoxicity, DNA-/serum albumin-interaction, density functional theory, in-silico prediction and molecular modeling

FEIZI DEH NAYEBI M., Dehghanian E., Mansouri-Torshizi H.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , vol.281, 2022 (SCI-Expanded, Scopus)

77. Probing the biomolecular (DNA/BSA) interaction by new Pd(II) complex via in-depth experimental and computational perspectives: synthesis, characterization, cytotoxicity, and DFT approach

FEIZI DEH NAYEBI M., Dehghanian E., Mansouri-Torshizi H.

Journal of the Iranian Chemical Society , vol.19, no.7, pp.3155-3175, 2022 (SCI-Expanded, Scopus)

78. DNA/BSA binding affinity studies of new Pd(II) complex with S-S and N-N donor mixed ligands via experimental insight and molecular simulation: Preliminary antitumor activity, lipophilicity and DFT perspective

FEIZI DEH NAYEBI M., Dehghanian E., Mansouri-Torshizi H.

Journal of Molecular Liquids , vol.344, 2021 (SCI-Expanded, Scopus)

79. Synthesis and characterization of Pd(II) antitumor complex, DFT calculation and DNA/BSA binding insight through the combined experimental and theoretical aspects

FEIZI DEH NAYEBI M., Dehghanian E., Mansouri-Torshizi H.

Journal of Molecular Structure , vol.1240, 2021 (SCI-Expanded, Scopus)

80. A novel palladium(II) antitumor agent: Synthesis, characterization, DFT perspective, CT-DNA and BSA interaction studies via in-vitro and in-silico approaches

FEIZI DEH NAYEBI M., Dehghanian E., Mansouri-Torshizi H.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , vol.249, 2021 (SCI-Expanded, Scopus)

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