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10. Additional file 1 of Efficient synthesis of 1,3-naphtoxazine derivatives using reusable magnetic catalyst (GO-Fe3O4–Ti(IV)): anticonvulsant evaluation and computational studies

Author

Khabnadideh, Soghra, solhjoo, Aida, Heidari, Reza, Amiri Zirtol, Leila, Sakhteman, Amirhossein, Rezaei, Zahra, Babaei, Elaheh, Rahimi, Samaneh, and Emami, Leila

Abstract

Additional file 1: Figure S1. The FT-IR spectrum of S1, Figure S2. The 1H NMR spectrum of S1, Figure S3. The FT-IR spectrum of S2, Figure S4. The 1H NMR spectrum of S2, Figure S5. The 13C-NMR spectrum of S2, Figure S6. The 13C-NMR spectrum of S2, Figure S7. The FT-IR spectrum of S3, Figure S8. The 1H NMR spectrum of S3, Figure S9. The FT-IR spectrum of S4, Figure S10. The 1H NMR spectrum of S4, Figure S11. The 13C-NMR spectrum of S4, Figure S12. The FT-IR spectrum of S5, Figure S13. The 1H NMR spectrum of S5, Figure S14. The 1H NMR spectrum of S5, Figure S15. The FT-IR spectrum of S6, Figure S16. The 1H NMR spectrum of S6, Figure S17. The 13C-NMR spectrum of S6, Figure S18. The Mass spectrum of S6, Figure S19. The FT-IR spectrum of S7, Figure S20. The 1H NMR spectrum of S7, Figure S21. The FT-IR spectrum of S8, Figure S22. The 1H NMR spectrum of S8, Figure S23. The 13C-NMR spectrum of S8, Figure S24. The Mass spectrum of S8, Figure S25. The FT-IR spectrum of S9, Figure S26. The 1H NMR spectrum of S9, Figure S27. The 13CNMR spectrum of S9, Figure S28. The Mass spectrum of S9, Figure S29. The FT-IR spectrum of S10, Figure S30. The 1H NMR spectrum of S10, Figure S31. The FT-IR spectrum of S11, Figure S32. The 1H NMR spectrum of S11, Figure S33. EDS analysis of the GO-Fe3O4-Ti(IV), Figure S34. VSM plot of pure Fe3O4, and GO-Fe3O4-Ti(IV), Table S1. The bonding energies (kcal/mol) of the tested compounds on GABA-A using AutoDock Vina.

Published
2022
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13. Borax: An Environmentally Clean Catalyst for the Synthesize of Pyrano[2,3-c]Pyrazoles and Xanthene-1,8-Diones in H2O.

Author

Amiri-Zirtol, Leila and Amrollahi, Mohammad Ali

Subjects
*PYRAZOLES, *HETEROCYCLIC compounds synthesis, *CATALYSTS, *BORAX, *CATALYST synthesis
Abstract

A rapid and green procedure has been introduced for the preparation of pyrano[2,3-c]pyrazole and xanthene-1,8-dione derivatives in the presence of a natural catalyst in aqueous medium. Sodium tetraborate pentahydrate was found as a nontoxic or minimally toxic, readily available, cheap, and ecologically favorable agent catalyst for the synthesis of these important heterocyclic compounds. The introduced method offers some advantages such as high efficiency, an inexpensive and easy-to-handle catalyst, avoidance of organic solvents, and simple work-up that they are consistent with green chemistry. [ABSTRACT FROM AUTHOR]

Published
2022
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16. Efficient synthesis of 1,3-naphtoxazine derivatives using reusable magnetic catalyst (GO-Fe3O4–Ti(IV)): anticonvulsant evaluation and computational studies.

Author

Khabnadideh, Soghra, solhjoo, Aida, Heidari, Reza, Amiri Zirtol, Leila, Sakhteman, Amirhossein, Rezaei, Zahra, Babaei, Elaheh, Rahimi, Samaneh, and Emami, Leila

Subjects
MELTING points, CATALYSTS, CHEMICAL structure, GABA receptors, OXAZINES, MOLECULAR docking, CHEMICAL synthesis, PHENOBARBITAL
Abstract

A series of 2-aryl/alkyl-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazines (S1–S11) were synthesized with an eco-friendly and recoverable nanocatalyst (GO-Fe3O4–Ti(IV)) as an efficient magnetic composite. The new nanocatalyst was characterized by FT-IR, XRD and, EDS analysis. A conformable procedure, easy to work up and having a short reaction time with high yields are some advantages of this method. The new catalyst is also thermal-stable, reusable and, environment-friendly. The chemical structures of the synthesized 1,3-oxazine compounds were confirmed by comparing their melting points with those reported in literature. Then, the anticonvulsant activity of these compounds was assessed by the intraperitoneal pentylenetetrazole test (ipPTZ). Compounds S10 and S11 displayed considerable activity against chemically-induced seizure tests. The molecular simulation was also done to achieve their binding affinities as γ‐aminobutyric acid A (GABA‐A) receptor agonists as an assumptive mechanism of their anticonvulsant action. The result of molecular studies represented strongly matched with biological activity. Molecular docking simulation of the potent compound (S10) and diazepam as the positive control was performed and some critical residues like Thr262, Asn265, Met286, Phe289, and Val290 were identified. Based on the anticonvulsant results and also in silico ADME predictions, S11 can be to become a potential drug candidate as an anticonvulsant agent. [ABSTRACT FROM AUTHOR]

Published
2022
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17. GO-Fe3O4-Ti(IV) as an efficient magnetic catalyst for the synthesis of <italic>bis</italic>(indolyl)methanes and benzo<italic>[a]</italic>xanthen-11-one derivatives.

Author

Amiri-Zirtol, Leila, Amrollahi, Mohammad Ali, and Mirjalili, Bibi-Fatemeh

Abstract

Abstract In this study, a new and efficient magnetic composite was synthesized based on graphene oxide (GO). Initially, GO was coated with magnetite, and then Ti(IV ) was fixed on GO-Fe3O4 via a covalent graft. The magnetic composite was characterized by FT-IR, EDS, XRD, FE-SEM, TEM, VSM and TGA techniques. It was designed as a compound with strong and recoverable catalytic properties. The prepared GO-Fe3O4-Ti(IV) emerged to be of high catalytic activity for the synthesis of bis(indolyl)methane and benzo[a]xanthen-11-one derivatives under mild conditions. The stability and reusability of the catalyst were investigated too. All of the data proved that GO-Fe3O4-Ti(IV) could be recycled five times without a marked loss of activity. [ABSTRACT FROM AUTHOR]

Published
2021
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