1. Poustforoosh A*. Investigation on the structural and dynamical properties of Cationic, Anionic, and Catanionic niosomes as multifunctional controlled drug delivery system for Cabozantinib “Colloids and Surfaces A: Physicochemical and Engineering Aspects” 2024. (* Corresponding author)
  2. Poustforoosh A, Faramarz S, Nematollahi MH, Mahmoodi M, Azadpour M.Structure-Based Drug Design for Targeting IRE1: An in Silico Approach for Treatment of Cancer.“Drug Research”2024.
  3. Kırıcı M, Tüzün B, Kırıcı M, Atamanalp M, Poustforoosh A, Beydemir S, Reşit Taysı M. The impact of some metals, molecular docking and molecular dynamic calculations on glucose 6-phosphate dehydrogenase activity in Capoeta trutta (Heckel, 1843) tissue.“Journal of Molecular Liquids” 2024.
  4. Nazari S, Mosaffa F, Poustforoosh A, Mortazavi  M, Saso L, Firuzi O, Moosavi F. Foretinib, a c-MET receptor tyrosine kinase inhibitor, tackles multidrug resistance in cancer cells by inhibiting ABCB1 and ABCG2 transporters.“Toxicology and Applied Pharmacology”. 2024.
  5. Firouzi M, Haghighijoo Z, Eskandari M, Mohabbati M, Miri R, Jamei MH, Poustforoosh A, Nazari S, Firuzi O, Khoshneviszadeh M, Edraki N. Synthesis and Cytotoxic Activity Evaluation of Novel Imidazopyridine Carbohydrazide Derivative. “BMC Chemistry”2024
  6. Sadeghian S, Bekhradi F, Mansouri F, Razmi R, Mansouri G, Poustforoosh A, Khabnadideh S, Zomorodian K, Zareshahrabadi Z, Rezaei Z. Imidazole Derivatives as Novel and Potent Antifungal Agents: Synthesis, Biological Evaluation, Molecular Docking Study, Molecular Dynamic Simulation and ADME Prediction. “Journal of Molecular Structure” 2024.
  7. Poustforoosh A*, Faramarz S, Negahdaripour M, Tüzün B, Hashemipour H. Investigation on themechanisms by which the herbal remedies induce anti-prostate cancer activity:uncovering the most practical natural compound.“Journal of Biomolecular Structure and Dynamics”2023. (* Corresponding author)
  8. Poustforoosh A*, Faramarz S, Negahdaripour M, Tüzün B, Hashemipour H. Tracing the pathways and mechanisms involved in the anti-breast cancer activity of glycyrrhizin using bioinformatics tools and computational methods.“Journal of Biomolecular Structure and Dynamics”2023. (* Corresponding author) 
  9. Poustforoosh A*, Faramarz S, Negahdaripour M, Hashemipour. Modeling and affinity maturation of an anti-CD20 nanobody: a comprehensive in-silico investigation.“Scientific Reports” 2023. (* Corresponding author)
  10. Poustforoosh A, F Moosavi. Evaluation of the FDA-approved kinase inhibitors to uncover the potential repurposing candidates targeting ABC transporters in multidrug-resistant cancer cells: An in silico approach.“Journal of Biomolecular Structure and Dynamics”2023.
  11. Taysi MR, Kirici M, Kirici M, Tuzun B, Poustforoosh A. Antioxidant enzyme activities, molecular docking studies, MM-GBSA, and molecular dynamic of chlorpyrifos in freshwater fish Capoeta umbla.“Journal of Biomolecular Structure and Dynamics”2023.
  12. Rashedinia M, Rasti Arbabi Z, Sabet R, Emami L, Poustforoosh A, Sabahi Z. Comparison of protective effects of phenolic acids on protein glycation of BSA supported by in vitro and docking study.“Biochemistry Research International”2023.
  13. Fazel R, Hassani B, Zare F, Jokar Darzi H, Khoshneviszadeh M, Poustforoosh A; Behrouz M; Sadeghpour H, R Sabet. Design, Synthesis, in silico ADME, DFT, Molecular Dynamics Simulation, Anti-Tyrosinase, and Antioxidant Activity of Some of the 3-Hydroxypyridin- 4-one Hybrids in Combination with Acylhydrazone Derivatives.“Journal of Biomolecular Structure and Dynamics” 2023.
  14. Moheimanian N, Mirkhani H, Edraki N, Poustforoosh A, Momeni S, Khalighian N, Zidorn C), Jassbi AR. Bioassay-guided purification of α-glucosidase inhibitor fatty acids from Padina tetrastromatica.“Journal of Applied Phycology” 2023.
  15. Poustforoosh A, Faramarz S, Nematollahi MH, Hashemipour H, Pardakhty A. Construction of Bio-conjugated nano-vesicles using non-ionic surfactants for targeted drug delivery: A computational supported experimental study.“Journal of Molecular Liquids”2022.
  16. Poustforoosh A*, Faramarz S, Nematollahi MH, Hashemipour H, Negahdaripour M, Pardakhty A. In silico SELEX screening and statistical analysis of newly designed 5mer peptide-aptamers as Bcl-xl inhibitors using the Taguchi method.“Computers in Biology and Medicine”2022. (* Corresponding author)
  17. Poustforoosh A, Nematollahi MH, Hashemipour H, Pardakhty A. Recent advances in Bio-conjugated nanocarriers for crossing the Blood-Brain Barrier in (pre-) clinical studies with an emphasis on vesicles.“Journal of Controlled Release”2022.
  18. Poustforoosh A, Faramarz S, Nematollahi MH, Hashemipour H, Tüzün B, Pardakhty A, Mehrabani M. 3D-QSAR, molecular docking, molecular dynamics, and ADME/T analysis of marketed and newly designed flavonoids as inhibitors of Bcl-2 family proteins for targeting U-87 glioblastoma.“Journal of Cellular Biochemistry”2022.
  19. Poustforoosh A, Hashemipour H, Tüzün B, Azadpour M, Faramarz S, Pardakhty A, Mehrabani M, Nematollahi MH. The Impact of D614G Mutation of SARS-COV-2 on the Efficacy of Anti-viral Drugs: A Comparative Molecular Docking and Molecular Dynamics.“Current Microbiology”2022.
  20. Abdollahdokht D, Gao Y, Faramarz S,  Poustforoosh A, Abbasi M,  Asadikaram G, Nematollahi MH. Conventional agrochemicals towards nano-biopesticides: an overview on recent advances. 2022.
  21. Naghiyev F, Mamedov I, Askerov R, Taslimi P, Poustforoosh A*. Synthesis and Biological Activity of Functionally Substituted Pyrimidine and Pyran Derivatives on the Basis of Isatylidene Malononitriles. 2022. (* Corresponding author)
  22. Poustforoosh A, Hashemipour H, Tüzün B, Pardakhty A, Mehrabani M, Nematollahi MH. Evaluation of potential anti-RNA-dependent RNA polymerase (RdRP) drugs against the newly emerged model of COVID-19 RdRP using computational methods. “Biophysical Chemistry”2021.
  23. Poustforoosh A, Hashemipour H, Pardakhty A, Kalantari pour M. Preparation of nano-micelles of meloxicam for transdermal drug delivery and simulation of drug release:A computational supported experimental study.“The Canadian Journal of Chemical Engineering”2021.
  24. Asadikaram G, Poustforoosh A, Pardakhty A, Torkzade Mahani M, Nematollahi MH. Niosomal Virosome derived by vesicular stomatitis virus glycoprotein as a new gene carrier. “Biochemical and Biophysical Research Communications”2021.
  25. Mehrabani M, Raeiszadeh M, Najafipour H, Esmaeli Tarzi M, Amirkhosravi A, Poustforoosh A, Mohammadi M, Naghdi S, Mehrabani M. Evaluation of the
  26. Cytotoxicity, Antibacterial, Antioxidant, and Anti-inflammatory Effects of Different Extracts of Punica granatum var. pleniflora. “Journal of Kerman University of Medical Sciences” 2020
  27. Karimian, S., Nikeghbali, N., Nahaei, A., Kabiri, M., Poustforoosh, A., Sakhteman, A., Khoshneviszadeh, M   1H-benzo[f]chromene-2-carboxylate derivatives: synthesis, computational investigations (docking, MD, and DFT), and in vitro biological evaluation as tyrosinase inhibitors.
  28.   Benabbes, M., El Moutaouakil Ala Allah, A., Ziraoui, O., Poustforoosh, A., El-Guourrami, O., Akhazzane, M., Tüzün, B., El Harti, J., Lamsaouri, J Design, synthesis, and biological evaluation of pyrazole-based schiff bases as dual α-amylase and α-glucosidase inhibitors with antioxidant potential
  29.  İSPİR, Ü., Tüzün, B., KIRICI, M., Poustforoosh, A., YONAR, M., YONAR, S., ŞEKER, E. Biochemical effects and theoretical study of a metformin in the carp (Cyprinus carpio) fry
  30.  Mansouri, M., Ataollahi, E., Khabnadideh, S., Heidarneghad, K., Sedigh, M., Poustforoosh, A., Emami, M., Rezaei, Z . Design, synthesis, and evaluation of novel quinazoline-4-one derivatives as potential EGFR-targeting anticancer agents: integrated computational and biological insights
  31. . Moheimanian, N., Mirkhani, H., Edraki, N., Poustforoosh, A., Nabipour, I., El-Seedi, H., Sohrabipour, J., Jassbi, A . Bioassay-guided purification of swartzchromone, a novel chromone, as an α-glucosidase inhibitor from Sargassum swartzii C. Agardh (Sargassaceae, brown seaweed)
  32. .Bostancı, H., Yıldırım, E., Çetin, F., Kaplan, D., Koçyiğit, Ü., Poustforoosh, A., Tüzün, B., Kelebekli, L. Investigation of Carbonic Anhydrase Inhibition, Antioxidant Properties, and Selective Anticancer Activity of Methyl-Substituted Halogenated and Methoxy Conduritols
  33. . Parchenko, V., Poustforoosh, A., Karpenko, Y., Kyrychko, B., Tüzün, B., Kyrychko, E., Chetvertak, T., Kul, İ. The development and theoretical examination of hplc-ms determination method for a novel veterinary drug tryfuzol-neo 1% in meat and animal organs
  34. Poustforoosh, A., Elyasi, M. Leveraging Scaffold Hopping and Machine Learning for the Innovative Design and Assessment of Pyridine Derivatives as c-Met Inhibitors Using Amide-based Bioisosteres
  35. Kirici, M., Tüzün, B., Yonar, M., Poustforoosh, A., Mişe Yonar, S., Şeker, E., İspir, Ü. Change of micronucleus frequencies, antioxidant parameters and in silico in carp (Cyprinus carpio) fry exposed to ibuprofen
  36. Khanehzar, E., Shams, F., Jafari, A., Poustforoosh, A . Next-generation AI-assisted drug design against cancer: large language models meet conventional in silico methods. 

  37.  

     Khanehzar, E., Shams, F., Jafari, A., Poustforoosh, A., Abedi, M., Jafarinia, S. A novel framework for assessing large language models in computational drug design: Targeting AXL receptor tyrosine kinase for cancer therapy

  38.  Farboodniay Jahromi, M.A., Hashemi, Sh., Sadeghian, S., Movahedi, M., Poustforoosh, A., Seradj, S.H., Emami, L. In silico prediction, molecular docking, and dynamics analysis of steroidal alkaloids from the genus Fritillaria: implications for designing novel antiparkinsonian therapeutic strategies. Scientific Reports
  39.  Farboodniay Jahromi,M.A., Ataollahi, E., Sadeghian, S., Poustforoosh, A., Aalinezhad, Sh., Sakhteman, A., Hatam, Gh., Seradj, S.H., Emami, L., Farboodniay Jahromi, M. Virtual screening and computational studies of some naphthoquinones from boraginaceous plants as potential inhibitors of target enzymes involved in leishmaniasis. MOLECULAR PHYSICS