Songül Şahin

Synthesis, characterization, X-ray, HOMO-LUMO, MEP, FT-IR, NLO, Hirshfeld surface, ADMET, boiled-egg model properties and molecular docking studies with human cyclophilin D (CypD) of a Schiff base compound: (E)-1-(5-nitro-2-(piperidin-1-yl)phenyl)-N-(3-nitrophenyl)methanimine

Songül Şahin, Necmi Dege · Polyhedron · 2021 · 120 citations

Schiff Base Compound, Combinatorial Chemistry, Medicinal Chemistry +13

Crystal structure and spectroscopic characterization of (E)-2-(((4-bromo-2-(trifluoromethoxy)phenyl)imino)methyl)-4-nitrophenol: A combined experimental and computational study

Ömer Tamer, Necmi Dege, Güneş Demirtaş et al. · Journal of Molecular Structure · 2014 · 67 citations

Crystal Structure, Computational Study, Biochemistry +8

A newly synthesized small molecule: the evaluation against Alzheimer's Disease by in silico drug design and computational structure analysis methods

Songül Şahin, Necmi Dege · Journal of Molecular Structure · 2021 · 48 citations

Combinatorial Chemistry, Medicinal Chemistry, Biochemistry +9

(E)-N-(3-chlorophenyl)-1-(5-nitro-2-(piperidin-1-yl)phenyl)methanimine: X-Ray, DFT, ADMET, Boiled-Egg Model, Druggability, Bioavailabilty, and Human Cyclophilin D (CypD) Inhibitory Activity

Songül Şahin, Necmi Dege · Journal of Molecular Structure · 2021 · 27 citations

Medicinal Chemistry, Pharmacological Study, Biochemistry +10

A single-molecule with multiple investigations: Synthesis, characterization, computational methods, inhibitory activity against Alzheimer's disease, toxicity, and ADME studies

Songül Şahin · Computers in Biology and Medicine · 2022 · 25 citations

Medicinal Chemistry, Alzheimer's Disease, Biochemistry +11