Synthesis, crystal structure, spectroscopic, molecular docking and DFT Studies of two Schiff base ligands derived from DL-1-Phenylethylamine

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SALEHI MAHDI; KUBICKI MACIEJ; JAFARI MAHBOBEH; Galini Masumeh; SOLEIMANI FATEMEH

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Journal: Applied Chemistry Today Year:2019 | Volume:13 | Issue:49 Page(s): 103-116

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Title

Synthesis, crystal structure, spectroscopic, molecular docking and DFT Studies of two Schiff base ligands derived from DL-1-Phenylethylamine

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Keywords

Schiff baseQ1

Docking analysisQ1

Crystal structureQ1

DFT studyQ2

DL-1 phenylethylamineQ1

Abstract

In the present work a new Schiff base ligand was prepared by condensation of 4-hydroxy-3-methoxybenzaldehyde with DL-1-phenylethylamine (HL1). The product was characterized using FT-IR, 1H-NMR, and UV-Vis spectroscopy. The structure of HL1 Schiff base ligand was determined by X-ray crystallography. According to this analysis, HL1 ligand is crystallized in the orthorhombic Crystal structure with space group Pbca. Also, the structure and electronic properties of HL2 Schiff base ligand which was synthesized before and HL1 ligand were analyzed by using DFT calculations. The Docking analysis of ligands was reported that bind to the minor and major grooves of B-DNA sequence, respectively.

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APA: Copy

SALEHI, MAHDI, KUBICKI, MACIEJ, JAFARI, MAHBOBEH, Galini, Masumeh, & SOLEIMANI, FATEMEH. (2019). Synthesis, crystal structure, spectroscopic, molecular docking and DFT Studies of two Schiff base ligands derived from DL-1-Phenylethylamine. JOURNAL OF APPLIED CHEMISTRY, 13(49 ), 103-116. SID. https://sid.ir/paper/392266/en

Vancouver: Copy

SALEHI MAHDI, KUBICKI MACIEJ, JAFARI MAHBOBEH, Galini Masumeh, SOLEIMANI FATEMEH. Synthesis, crystal structure, spectroscopic, molecular docking and DFT Studies of two Schiff base ligands derived from DL-1-Phenylethylamine. JOURNAL OF APPLIED CHEMISTRY[Internet]. 2019;13(49 ):103-116. Available from: https://sid.ir/paper/392266/en

IEEE: Copy

MAHDI SALEHI, MACIEJ KUBICKI, MAHBOBEH JAFARI, Masumeh Galini, and FATEMEH SOLEIMANI, “Synthesis, crystal structure, spectroscopic, molecular docking and DFT Studies of two Schiff base ligands derived from DL-1-Phenylethylamine,” JOURNAL OF APPLIED CHEMISTRY, vol. 13, no. 49 , pp. 103–116, 2019, [Online]. Available: https://sid.ir/paper/392266/en

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