Graphene oxide immobilized 2-morpholinoethanamine as a versatile acid–base catalyst for synthesis of some heterocyclic compounds and molecular docking study
Abstract In this study, a new heterogeneous catalyst was synthesized based on graphene oxide (GO) as a natural material. On the surface of nanosheet graphene oxide, 2-Morpholinoethanamine was immobilized using a non-toxic, green, and simple method. This resulted in the preparation of a bifunctional...
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| Format: | Article |
| Language: | English |
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Nature Portfolio
2023-10-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-023-44521-9 |
| _version_ | 1797560000641499136 |
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| author | Leila Amiri-Zirtol Tahereh Solymani Ahooie Elham Riazimontazer Mohammad Ali Amrollahi Bibi-Fatemeh Mirjalili |
| author_facet | Leila Amiri-Zirtol Tahereh Solymani Ahooie Elham Riazimontazer Mohammad Ali Amrollahi Bibi-Fatemeh Mirjalili |
| author_sort | Leila Amiri-Zirtol |
| collection | DOAJ |
| description | Abstract In this study, a new heterogeneous catalyst was synthesized based on graphene oxide (GO) as a natural material. On the surface of nanosheet graphene oxide, 2-Morpholinoethanamine was immobilized using a non-toxic, green, and simple method. This resulted in the preparation of a bifunctional acid–base nanocatalyst. The synthesized composite was fully characterized using various methods, including Fourier transform infrared spectrometry (FT-IR), scanning electron microscopy (FESEM), energy dispersive X-ray spectroscopy (EDS), mapping, Raman spectroscopy, X-ray diffractometry (XRD), thermogravimetric analysis (TGA), and CHN elemental analysis. The catalytic reactivity of GO-mor was investigated in the one-pot synthesis of some benzo[b]pyran, pyrano[3,2-c]chromene, and polyhydroquinoline derivatives, yielding good efficiency and short reaction times. In addition, several recent studies have shown that some derivatives of pyran, chromene, and quinoline have remarkable anti COVID activity. Particularly, COVID-19 3CLpro/Mpro is considered a potential target for the treatment of this virus. For this purpose, docking models were constructed using the corresponding crystal structures with the synthesized derivatives. Based on the docking score and similarity of the binding mode to remdesivir and elvitegravir (the only approved drugs for the treatment of COVID-19), A2, B1, and C4 were selected as promising candidates for further research. |
| first_indexed | 2024-03-10T17:53:17Z |
| format | Article |
| id | doaj.art-ce8359a52757462e8ca89d1ad451d4e0 |
| institution | Directory Open Access Journal |
| issn | 2045-2322 |
| language | English |
| last_indexed | 2024-03-10T17:53:17Z |
| publishDate | 2023-10-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj.art-ce8359a52757462e8ca89d1ad451d4e02023-11-20T09:17:32ZengNature PortfolioScientific Reports2045-23222023-10-0113111710.1038/s41598-023-44521-9Graphene oxide immobilized 2-morpholinoethanamine as a versatile acid–base catalyst for synthesis of some heterocyclic compounds and molecular docking studyLeila Amiri-Zirtol0Tahereh Solymani Ahooie1Elham Riazimontazer2Mohammad Ali Amrollahi3Bibi-Fatemeh Mirjalili4Department of Chemistry, Yazd UniversityChemistry and Chemical Engineering Research Center of IranBiotechnology Research Center, Shiraz University of Medical SciencesDepartment of Chemistry, Yazd UniversityDepartment of Chemistry, Yazd UniversityAbstract In this study, a new heterogeneous catalyst was synthesized based on graphene oxide (GO) as a natural material. On the surface of nanosheet graphene oxide, 2-Morpholinoethanamine was immobilized using a non-toxic, green, and simple method. This resulted in the preparation of a bifunctional acid–base nanocatalyst. The synthesized composite was fully characterized using various methods, including Fourier transform infrared spectrometry (FT-IR), scanning electron microscopy (FESEM), energy dispersive X-ray spectroscopy (EDS), mapping, Raman spectroscopy, X-ray diffractometry (XRD), thermogravimetric analysis (TGA), and CHN elemental analysis. The catalytic reactivity of GO-mor was investigated in the one-pot synthesis of some benzo[b]pyran, pyrano[3,2-c]chromene, and polyhydroquinoline derivatives, yielding good efficiency and short reaction times. In addition, several recent studies have shown that some derivatives of pyran, chromene, and quinoline have remarkable anti COVID activity. Particularly, COVID-19 3CLpro/Mpro is considered a potential target for the treatment of this virus. For this purpose, docking models were constructed using the corresponding crystal structures with the synthesized derivatives. Based on the docking score and similarity of the binding mode to remdesivir and elvitegravir (the only approved drugs for the treatment of COVID-19), A2, B1, and C4 were selected as promising candidates for further research.https://doi.org/10.1038/s41598-023-44521-9 |
| spellingShingle | Leila Amiri-Zirtol Tahereh Solymani Ahooie Elham Riazimontazer Mohammad Ali Amrollahi Bibi-Fatemeh Mirjalili Graphene oxide immobilized 2-morpholinoethanamine as a versatile acid–base catalyst for synthesis of some heterocyclic compounds and molecular docking study Scientific Reports |
| title | Graphene oxide immobilized 2-morpholinoethanamine as a versatile acid–base catalyst for synthesis of some heterocyclic compounds and molecular docking study |
| title_full | Graphene oxide immobilized 2-morpholinoethanamine as a versatile acid–base catalyst for synthesis of some heterocyclic compounds and molecular docking study |
| title_fullStr | Graphene oxide immobilized 2-morpholinoethanamine as a versatile acid–base catalyst for synthesis of some heterocyclic compounds and molecular docking study |
| title_full_unstemmed | Graphene oxide immobilized 2-morpholinoethanamine as a versatile acid–base catalyst for synthesis of some heterocyclic compounds and molecular docking study |
| title_short | Graphene oxide immobilized 2-morpholinoethanamine as a versatile acid–base catalyst for synthesis of some heterocyclic compounds and molecular docking study |
| title_sort | graphene oxide immobilized 2 morpholinoethanamine as a versatile acid base catalyst for synthesis of some heterocyclic compounds and molecular docking study |
| url | https://doi.org/10.1038/s41598-023-44521-9 |
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