profile - پژوهشکده دانشگاه
مقالات علمی چاپ شده در مجلات
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"Structural modification of antineoplastic drug carmofur designed to the inhibition of SARS-CoV-2 main protease: A theoretical investigation"
Niloofar Hemati,
Saba Hadidi,
Farshad Shiri,
Mohammad Hosein Farzaei
Results in Chemistry,
2022
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"Turn-on fluorescent detection of polycyclic aromatic hydrocarbons(PAHs) based on glutathione-capped CdTe/ZnS core/shell quantum dot (QDs)-graphene oxide (GO) nanocomposite: experimental and computational studies"
Marzeih Sadeghi,
Saba Hadidi,
Tahereh Shokri
Advances in nanochemistry,
pp.63-70,
2021
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"A theoretical investigation on decarboxylation mechanism of antibiotic para-aminosalicylic acid to highly toxic form meta-aminophenol"
Niloofar Hemati,
Farshad Shiri,
Saba Hadidi,
Elham Mohammadi,
Rasool Parvizi,
Mohammad Hosein Farzaei
STRUCTURAL CHEMISTRY,
pp.1053-1060,
2021
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"High selective gas-phase rearrangement reaction of TCDD induced by excess electron attachment: Theoretical insight on the decomposition mechanism of one of the most toxic chemical known to science"
Saba Hadidi,
Farshad Shiri
CHEMOSPHERE,
2021
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"Synthesis, characterization and DNA interaction of a novel Pt(II) macroacyclic Schiff base complex containing the piperazine moiety and its cytotoxicity and molecular docking"
Leila Nemati,
Hassan Keypour,
Nahid SHahabadi,
Saba Hadidi,
Robert William Gable
JOURNAL OF MOLECULAR LIQUIDS,
2021
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"The role of both intercalation and groove binding at AT-rich DNA regions in the interaction process of a dinuclear Cu(I) complex probed by spectroscopic and simulation analysis"
Nahid SHahabadi,
Farshad Shiri,
Saba Hadidi,
Kaveh Farshadfar,
Maryam Darbemamieh,
S. Mark Roe
JOURNAL OF MOLECULAR LIQUIDS,
2021
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"Equilibrium and site selective analysis for DNA threading intercalation of a new phosphine copper(I) complex: Insights from X-ray analysis, spectroscopic and molecular modeling studies"
Nahid SHahabadi,
Farshad Shiri,
Saba Hadidi,
Kaveh Farshadfar,
ثريا سجادي مجد,
S. Mark Roe
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,
2020
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"An investigation of pregabalin lactamization process and effect of various pH on reaction: A computational insight"
Saba Hadidi,
Farshad Shiri,
Mohammadsaleh Norouzibazaz
JOURNAL OF MOLECULAR STRUCTURE,
2020
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"A computational study on phenibut lactamization mechanism and the pH effects on the process"
Saba Hadidi,
Farshad Shiri,
Mohammadsaleh Norouzibazaz
THEORETICAL CHEMISTRY ACCOUNTS,
pp.100-139,
2020
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"The investigation on ibuprofen methyl ester isomerization as a fundamental stage in the preparation of antipyretic medicine (R)-ibuprofen: a computational insight"
Saba Hadidi,
Farshad Shiri,
Mohammadsaleh Norouzibazaz
THEORETICAL CHEMISTRY ACCOUNTS,
pp.101-136,
2020
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"Direct effects of low-energy electrons on including sulfur bonds in proteins: a second-order M?ller-Plesset perturbation (MP2) theory approach"
Nahid SHahabadi,
Farshad Shiri,
Saba Hadidi,
Soheila Kashanian
JOURNAL OF BIOMOLECULAR STRUCTURE and DYNAMICS,
pp.1-21,
2020
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"Design, synthesis and DNA interaction studies of new fluorescent platinum complex containing anti-HIV drug didanosine"
Nahid SHahabadi,
Amir Reza Abbasi,
AIDA MOSHTKOOB,
Saba Hadidi
JOURNAL OF BIOMOLECULAR STRUCTURE and DYNAMICS,
pp.2837-2848,
2020
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"A theoretical investigation of the flurbiprofen methyl ester isomerization as the main step in the photopreparation of anti-inflammatory medicine (S)-flurbiprofen: A DFT study"
Saba Hadidi,
Mohammadsaleh Norouzibazaz,
Farshad Shiri
current chemistry letters,
pp.161-170,
2020
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"Theoretical mechanistic insight into the gabapentin lactamization by an intramolecular attack: Degradation model and stabilization factors"
Saba Hadidi,
Farshad Shiri,
Mohammadsaleh Norouzibazaz
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,
2020
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"Antimicrobial, cytotoxicity, molecular modeling and DNA cleavage/binding studies of zinc-naproxen complex: switching DNA binding mode of naproxen by coordination to zinc ion"
Ali Akbar Khandar,
Zeinab Mirzaei-Kalar,
Nahid SHahabadi,
Saba Hadidi,
Hoda Abolhasani,
Seyed Abolfazl Hosseini-Yazdi,
Abolghasem Jouyban
JOURNAL OF BIOMOLECULAR STRUCTURE and DYNAMICS,
pp.1-13,
2020
