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Dergiler / Turkish Computational and Theoretical Chemistry / 2021 / Volume: 5 Issue: 2

Study of dipolar 1.3 cycloaddition reaction by DFT method, as well as study of antibacterial activity of two isomers 1.4 and 1.5 on two therapeutic targets E. coli and Helicobacter pylori, by molecular docking

Mohammed Aziz Ajana(Faculty of science, University Moulay Ismail Meknes)0000-0002-7742-4376
Abdessadak Oumayma(Faculty of science, University Moulay Ismail Meknes)0000-0002-6397-4879
Halima Hajjı(Faculty of science, University Moulay Ismail Meknes)0000-0003-2545-9427
Yassıne Koubı(Faculty of science, University Moulay Ismail Meknes)0000-0002-2483-5307
Tahar Lakhlıfı(Faculty of science, University Moulay Ismail Meknes)0000-0001-6707-9057
Mohammed Bouachrıne(Faculty of science, University Moulay Ismail Meknes)0000-0002-8901-047X
Sayfa
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Yayın Tarihi
2021-12-15
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We carried out this study by using the DFT method on the one hand, on the other hand we studied the antibacterial activity of two isomers 1.4 and 1.5 obtained from cycloaddition reaction on two therapeutic targets E. coli and Helicobacter pylori, using Molecular docking.

📌 3 Maddede Bu Makale

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Amaç & Hipotez:A study was carried out on the 1.3 dipolar cycloaddition reaction between Phenylethyne and Benzyl (diazyn-1-ium-1-yl) azanide, using the different theoretical approaches, to know precisely the reaction path, and the regioselectivity of reaction, as well as the transition state.
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Temel Bulgular & Veri:A study was carried out on the 1.3 dipolar cycloaddition reaction between Phenylethyne and Benzyl (diazyn-1-ium-1-yl) azanide, using the different theoretical approaches, to know precisely the reaction path, and the regioselectivity of reaction, as well as the transition state.
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Sonuç & Katkı:We carried out this study by using the DFT method on the one hand, on the other hand we studied the antibacterial activity of two isomers 1.4 and 1.5 obtained from cycloaddition reaction on two therapeutic targets E. coli and Helicobacter pylori, using Molecular docking.
🔬Tür:Research Article
📍Kapsam:Genişletilmiş Akademik Örneklem
⚙️Değişkenler:Cycloaddition · Isomer · Transition state

Abstract

A study was carried out on the 1.3 dipolar cycloaddition reaction between Phenylethyne and Benzyl (diazyn-1-ium-1-yl) azanide, using the different theoretical approaches, to know precisely the reaction path, and the regioselectivity of reaction, as well as the transition state. We carried out this study by using the DFT method on the one hand, on the other hand we studied the antibacterial activity of two isomers 1.4 and 1.5 obtained from cycloaddition reaction on two therapeutic targets E. coli and Helicobacter pylori, using Molecular docking.

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Bu Makaleye Atıf Yap

Ajana, M. A., Oumayma, A., Hajjı, H., Koubı, Y., Lakhlıfı, T., Bouachrıne, M. (2021). Study of dipolar 1.3 cycloaddition reaction by DFT method, as well as study of antibacterial activity of two isomers 1.4 and 1.5 on two therapeutic targets E. coli and Helicobacter pylori, by molecular docking. Turkish Computational and Theoretical Chemistry, Volume: 5 Issue: 2. https://doi.org/10.33435/tcandtc.1020278

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