MEDT study of the 1,3-DC reaction of diazomethane with Psilostachyin and investigation about the interactions of some pyrazoline derivatives with protease (Mpro) of nCoV-2

Autor: Salah, M., Belghiti, M.E., Aitouna, A.O., Zeroual, A., Jorio, S., El Alaoui Abdellaoui, H., El Hadki, H., Marakchi, K., Komiha, N.

Publikováno v: In Journal of Molecular Graphics and Modelling January 2021 102

Novel spirooxindole-triazole derivatives: unveiling [3+2] cycloaddition reactivity through molecular electron density theory and investigating their potential cytotoxicity against HepG2 and MDA-MB-231 cell lines.

Autor: Shawish, Ihab¹ (AUTHOR) ishawish@psu.edu.sa, Al Ayoubi, Samha¹ (AUTHOR), El-Faham, Ayman² (AUTHOR) ishawish@psu.edu.sa, Aldalbahi, Ali³ (AUTHOR), El-Senduny, Fardous F.^4,5 (AUTHOR), Badria, Farid A.⁶ (AUTHOR), Ríos-Gutiérrez, Mar⁷ (AUTHOR), Hammud, Hassan H.⁸ (AUTHOR), Ashraf, Sajda⁹ (AUTHOR), Ul-Haq, Zaheer⁹ (AUTHOR), Barakat, Assem³ (AUTHOR)

Publikováno v: Frontiers in Chemistry. 2024, p1-20. 20p.

Explaining the selectivities and the mechanism of [3+2] cycloloaddition reaction between isoalantolactone and diazocyclopropane.

Autor: Ouled Aitouna A; Molecular Modeling and Spectroscopy Research Team, Faculty of Science, Chouaïb Doukkali University, P.O. Box 20, 24000, El Jadida, Morocco.; Laboratory of Bioorganic Chemistry, Department of Chemistry, Faculty of Sciences, Chouaïb Doukkali University, P.O. Box 20, 24000, El Jadida, Morocco., Barhoumi A; Molecular Modeling and Spectroscopy Research Team, Faculty of Science, Chouaïb Doukkali University, P.O. Box 20, 24000, El Jadida, Morocco., El Alaoui El Abdallaoui H; Molecular Modeling and Spectroscopy Research Team, Faculty of Science, Chouaïb Doukkali University, P.O. Box 20, 24000, El Jadida, Morocco., Mazoir N; Laboratory of Bioorganic Chemistry, Department of Chemistry, Faculty of Sciences, Chouaïb Doukkali University, P.O. Box 20, 24000, El Jadida, Morocco., Elalaoui Belghiti M; Laboratory of Physical Chemistry of Materials, Ben M'Sick Faculty of Sciences, Hassan II University, P.O. Box 7955, Casablanca, Morocco.; Laboratory of Nernest Technology, 163 Willington Street, Sherbrooke, QC, J1H5C7, Canada., Syed A; Department of Botany and Microbiology, College of Science, King Saud University, P.O. Box 2455, Riyadh, 11451, Saudi Arabia., Bahkali AH; Department of Botany and Microbiology, College of Science, King Saud University, P.O. Box 2455, Riyadh, 11451, Saudi Arabia., Verma M; University Centre for Research & Development, Department of Chemistry, Chandigarh University, Gharuan, Mohali, India., Zeroual A; Molecular Modeling and Spectroscopy Research Team, Faculty of Science, Chouaïb Doukkali University, P.O. Box 20, 24000, El Jadida, Morocco. zeroualabdellah2@gmail.com.

Publikováno v: Journal of molecular modeling [J Mol Model] 2023 Aug 15; Vol. 29 (9), pp. 280. Date of Electronic Publication: 2023 Aug 15.

A MEDT study of the mechanism and selectivity of the hetero-Diels–Alder reaction between 3-benzoylpyrrolo[1,2-c][1,4]-benzoxazine-1,2,4-trione and vinyl acetate.

Autor: Ameur, Soukaina^1,2 (AUTHOR), Barhoumi, Ali¹ (AUTHOR), Ríos-Gutiérrez, Mar³ (AUTHOR), Aitouna, Anas Ouled^1,2 (AUTHOR), Abdallaoui, Habib El Alaoui El¹ (AUTHOR), Mazoir, Noureddine² (AUTHOR), Belghiti, Mohammed Elalaoui^4,5 (AUTHOR), Syed, Asad⁶ (AUTHOR), Zeroual, Abdellah¹ (AUTHOR) zeroualabdellah2@gmail.com, Domingo, Luis R.³ (AUTHOR)

Publikováno v: Chemistry of Heterocyclic Compounds. Mar2023, Vol. 59 Issue 3, p165-170. 6p.

[2+1] Cycloaddition reaction of α-atlantone with m-CPBA in the light of experimental and MEDT quantum-chemical study.

Autor: Raji, Houria^1,2 (AUTHOR), Aitouna, Abdelhak Ouled¹ (AUTHOR), Barhoumi, Ali² (AUTHOR), Hammal, Redouane¹ (AUTHOR), Chekroun, Ahmed¹ (AUTHOR), Zeroual, Abdellah² (AUTHOR) zeroual19@yahoo.fr, Benharref, Ahmed¹ (AUTHOR), Mazoir, Noureddine³ (AUTHOR)

Publikováno v: Chemistry of Heterocyclic Compounds. Mar2023, Vol. 59 Issue 3, p112-117. 6p.