Synthesis, Characterization, Molecular Docking, and In Silico ADME Study for Some New Different Derivatives for Succiniohydrazide

     Many studies have found effective oral influenza virus inhibitors based on an aryl benzoyl hydrazide scaffold and antiviral. This study aims to prepare a new series of derivatives containing succinohydrazide as a precursor. In the first step, after synthesis of their precursor, it has been pre...

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Main Authors: Asmaa A. Maryoosh, Oday H. R. Al-Jeilawi
Format: Article
Language:English
Published: University of Baghdad 2025-01-01
Series:Ibn Al-Haitham Journal for Pure and Applied Sciences
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Online Access:https://jih.uobaghdad.edu.iq/index.php/j/article/view/3642
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author Asmaa A. Maryoosh
Oday H. R. Al-Jeilawi
author_facet Asmaa A. Maryoosh
Oday H. R. Al-Jeilawi
author_sort Asmaa A. Maryoosh
collection DOAJ
description      Many studies have found effective oral influenza virus inhibitors based on an aryl benzoyl hydrazide scaffold and antiviral. This study aims to prepare a new series of derivatives containing succinohydrazide as a precursor. In the first step, after synthesis of their precursor, it has been prepared di benzoyl succinohydrazide using a two-step process that involved reacting (o,m,p)-chloro benzoic acid with thionyl chloride to obtain freshly prepared substituted benzoyl chloride derivatives that were then reacted with succinohydrazide, or by a second method, directly reacting substituted benzoyl chloride with succinohydrazide to give benzoylsuccinohydrazide derivatives. After that, different derivatives were prepared involving the reaction of succinohydrazide with substituted benzene sulphonyl chloride, benzyl chloride, and phenacyl chloride. FTIR, 1HNMR, and 13CNMR spectra have been used to verify the structures of newly synthesized compounds. The Swiss ADME method with boiled egg prediction was used to analyze its pharmacokinetic properties. Then, genetic optimization of linkage docking (GOLD) was used in theoretical studies to investigate the binding mechanism of the protein-ligand produced with the protein (1SA0). Among all synthesis compounds, compound 2b has excellent results compared with colchicine and can be considered a good anti-bacterial against Escherichia coli and an anti-breast cancer drug.
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series Ibn Al-Haitham Journal for Pure and Applied Sciences
spelling doaj-art-1cf1c9f0b6294f4c97205cdb22c5833c2025-01-22T01:21:05ZengUniversity of BaghdadIbn Al-Haitham Journal for Pure and Applied Sciences1609-40422521-34072025-01-0138110.30526/38.1.3642Synthesis, Characterization, Molecular Docking, and In Silico ADME Study for Some New Different Derivatives for SucciniohydrazideAsmaa A. Maryoosh0https://orcid.org/0000-0002-4970-6675Oday H. R. Al-Jeilawi1https://orcid.org/0000-0002-4092-2072Department of Chemistry, College of Science, Mustansiriyah University, Baghdad, Iraq.Department of Chemistry, College of Sciences, University of Baghdad, Baghdad, Iraq.      Many studies have found effective oral influenza virus inhibitors based on an aryl benzoyl hydrazide scaffold and antiviral. This study aims to prepare a new series of derivatives containing succinohydrazide as a precursor. In the first step, after synthesis of their precursor, it has been prepared di benzoyl succinohydrazide using a two-step process that involved reacting (o,m,p)-chloro benzoic acid with thionyl chloride to obtain freshly prepared substituted benzoyl chloride derivatives that were then reacted with succinohydrazide, or by a second method, directly reacting substituted benzoyl chloride with succinohydrazide to give benzoylsuccinohydrazide derivatives. After that, different derivatives were prepared involving the reaction of succinohydrazide with substituted benzene sulphonyl chloride, benzyl chloride, and phenacyl chloride. FTIR, 1HNMR, and 13CNMR spectra have been used to verify the structures of newly synthesized compounds. The Swiss ADME method with boiled egg prediction was used to analyze its pharmacokinetic properties. Then, genetic optimization of linkage docking (GOLD) was used in theoretical studies to investigate the binding mechanism of the protein-ligand produced with the protein (1SA0). Among all synthesis compounds, compound 2b has excellent results compared with colchicine and can be considered a good anti-bacterial against Escherichia coli and an anti-breast cancer drug. https://jih.uobaghdad.edu.iq/index.php/j/article/view/3642ADMEbenzohydrazidebenzylhydrazideLipinsky rulemolecular dockingsulfonohydrazide
spellingShingle Asmaa A. Maryoosh
Oday H. R. Al-Jeilawi
Synthesis, Characterization, Molecular Docking, and In Silico ADME Study for Some New Different Derivatives for Succiniohydrazide
Ibn Al-Haitham Journal for Pure and Applied Sciences
ADME
benzohydrazide
benzylhydrazide
Lipinsky rule
molecular docking
sulfonohydrazide
title Synthesis, Characterization, Molecular Docking, and In Silico ADME Study for Some New Different Derivatives for Succiniohydrazide
title_full Synthesis, Characterization, Molecular Docking, and In Silico ADME Study for Some New Different Derivatives for Succiniohydrazide
title_fullStr Synthesis, Characterization, Molecular Docking, and In Silico ADME Study for Some New Different Derivatives for Succiniohydrazide
title_full_unstemmed Synthesis, Characterization, Molecular Docking, and In Silico ADME Study for Some New Different Derivatives for Succiniohydrazide
title_short Synthesis, Characterization, Molecular Docking, and In Silico ADME Study for Some New Different Derivatives for Succiniohydrazide
title_sort synthesis characterization molecular docking and in silico adme study for some new different derivatives for succiniohydrazide
topic ADME
benzohydrazide
benzylhydrazide
Lipinsky rule
molecular docking
sulfonohydrazide
url https://jih.uobaghdad.edu.iq/index.php/j/article/view/3642
work_keys_str_mv AT asmaaamaryoosh synthesischaracterizationmoleculardockingandinsilicoadmestudyforsomenewdifferentderivativesforsucciniohydrazide
AT odayhraljeilawi synthesischaracterizationmoleculardockingandinsilicoadmestudyforsomenewdifferentderivativesforsucciniohydrazide