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Informations du chercheur

Nom complet

Chekroun Ahmed

Grade

PES

Spécialité

chimie

Thématique de recherche

substances naturelles

Laboratoire

Laboratoire de Chimie Moléculaire

Établissement

Faculté des Sciences Semlalia Marrakech

Ouvrages (0 au total)

Aucun ouvrage disponible.

Projets (0 au total)

Aucun projet disponible.

Publications (12 au total)

Quantum evaluation of novel epoxides: molecular docking, dynamics simulation, pharmacokinetics, stereoselectivity, and mechanistic insights into cis-himachalone and cis-himachalol epoxidation

Auteur: Ilham Ait braim, Soukayna Baammi, Anas Ouled Aitouna, Abdellah Zeroual, Ahmed Chekroun, Haydar Mohammad-Salim, Mohammad Khalid Al-Sadoon, M. E. Belghiti, Jesús Vicente de Julián-Ortiz, Ahmed Benharref

Revue: Chemistry of Heterocyclic Compounds

Année: 2024

DOI: 10.1007/s10593-025-03380-0

Synthesis, X-ray analysis, and antiviral evaluation of allohimachalol: Insights into stereoselectivity in epoxidation

Auteur: Ilham Ait braim, Abdellatif Rafik, Ahmed Benharref, Ahmed Chekroun, Haydar Mohammad-Salim, Abdellah Zeroual, Asad Syed, Ali H. Bahkali, Shifa Wang, Ling Shing Wong, Jesus Vicente de Julian Ortiz

Revue: Journal of Molecular Structure

Année: 2024

DOI: 10.1016/j.molstruc.2024.137660

MEDT Study, hemisynthesis via regioselective ring opening of α-Himachalene-Epoxides, ADME survey and docking studies designed to target coronavirus and HIV-1

Auteur: Rahhal El Ajlaoui, Houria Raji, Mahmoud El Ouardi, Ahmed Chakroun, Abdellah Zeroual, Asad Syed, Ali H. Bahkali, Abdallah M. Elgorban, Meenakshi Verma, Ahmed Benharref, Rajender S. Varma

Revue: Journal of Molecular Liquids

Année: 2024

DOI: 10.1016/j.molliq.2023.123707

Antiviral docking analysis, semisynthesis and mechanistic studies on the origin of stereo- and chemoselectivity in epoxidation reaction of α′-trans-Himachalene

Auteur: Houria Raji, Abdelhak Ouled Aitouna, Ali Barhoumi, Ahmed Chekroun, Abdellah Zeroual, Asad Syed, Abdallah M. Elgorban, Meenakshi Verma, Ahmed Benharref, Rajender S. Varma

Revue: Journal of Molecular Liquids

Année: 2023

DOI: 10.1016/j.molliq.2023.122204

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

Auteur: Houria Raji, Abdelhak Ouled Aitouna, Ali Barhoumi, Redouane Hammal, Ahmed Chekroun, Abdellah Zeroual, Ahmed Benharref, Noureddine Mazoir

Revue: Chemistry of Heterocyclic Compounds

Année: 2023

DOI: 10.1007/s10593-023-03172-4

Computational Study of the Mechanism and Reactivity of -Himachalene in Presence of Carbenes Using DFT

Auteur: Redouan Hammal, Abdelhak Ouled Aitouna, Ahmed Benharref, Ahmed Chekroun, Adil Jaafar, Jaouad Badry, Sanaa El Hamidi, Mohamed Abdennouri

Revue: Iran. J. Chem. Chem. Eng.

Année: 2022

Divulging the regioselectivity of epoxides in the ring-opening reaction, and potential himachalene derivatives predicted to target the antibacterial activities and SARS-CoV-2 spike protein with docking study

Auteur: Abdelhak Ouled Aitouna, M.E. Belghiti, A. Eşme, Anas Ouled Aitouna, M. Salah, A. Chekroun, Habib El Alaoui El Abdallaoui, A. Benharref, N. Mazoir, A. Zeroual, C. Nejjari

Revue: Journal of Molecular Structure

Année: 2021

DOI: 10.1016/j.molstruc.2021.130864

Chemical reactivities and molecular docking studies of parthenolide with the main protease of HEP-G2 and SARS-CoV-2

Auteur: Abdelhak Ouled Aitouna, ME. Belghiti, Aslı Eşme, E. Anouar, Anass Ouled Aitouna, A. Zeroual, M. Salah, A. Chekroun, H. El Alaoui El Abdallaoui, A. Benharref, N. Mazoir

Revue: Journal of Molecular Structure

Année: 2021

DOI: 10.1016/j.molstruc.2021.130705

Understanding the Mechanism and Selectivities of the Reaction of Meta-Chloroperbenzoic Acid and Dibromocarbene with <i>β</i>-Himachalene: A DFT Study

Auteur: Sana El Hamidi, Malika Khnifira, El Mokhtar Lemdek, Redouan Hammal, Noureddine Barka, M’hamed Sadiq, Ahmed Benharref, Ahmed Chekroun, Hssaine Zgou, Mohamed Abdennouri

Revue: Heteroatom Chemistry

Année: 2020

DOI: 10.1155/2020/8885991

Communications (14 au total)

Stereoselective Epoxidation of Protected Allohimachalol: A Joint Theoretical–Experimental Study Combining MEDT, Molecular Docking, and ADME Analysis

Manifestation: 1ère Conférence Internationale sur la Modélisation Moléculaire et ses Applications (CI2MA 2025), Faculté des Sciences Ben M’Sick, Université Hassan II

Date: 2025-07-17

Organisation: Casablanca Maroc

Synthesis, molecular docking, ADME investigation and theoretical study of stereoselectivity of [1+2] cycloaddition reactions of the epoxide of β-himachalene with dichlorocarbene and dibromocarbene,

Manifestation: 11e Conférence Européenne Internationale sur la Recherche Scientifique Interdisciplinaire,

Date: 2025-01-21

Organisation: Lisbon, Portugal

A Molecular Electron Density Theory Study of the Reactivity of Tomentosine in [2+3] Cycloaddition Reactions

Manifestation: Journée nationales des doctorants et des jeunes chercheurs JNDJC 2022

Date: 2022-11-24

Organisation: Rabat

Etude computationnelle de la cycloaddition [2+3] de cétroxyde avec ylure d'azométhine par la méthode DFT

Manifestation: La 6 ème édition des Journées Doctorales Internationales Pluridisciplinaires d'Essaouira 2022

Date: 2022-11-02

Organisation: Essaouira

New insightsfrom theoritically defined descriptors electrophilicity and nucleophilicity of 9α-hydroxypathenolide within the contextof DFT

Manifestation: 2nd edition of internationnal conference on water depollution and green energy

Date: 2022-07-20

Organisation: Casablanca

Hemesynthesis, investigation of the mechanism and origin of chemo and stereoselectivity in the epoxidation reaction of - α'-trans-himachalene by m-CPBA

Manifestation: 2nd edition of internationnal conference on water depollution and green energy

Date: 2022-07-20

Organisation: Casablanca

Understanding a new approach from theoretically defined electrophilicity and nucleophilicity descriptors: a 13-azido-11,13-dihydrotomentosins cycloaddition reaction

Manifestation: La deuxième édition de la Conférence Internationale de Dépollution des Eaux et Energies Vertes (CIDEEV2022)

Date: 2022-07-20

Organisation: Casablanca

Hemisynthesis of the diepoxy-himachalans & theoretical investigation of the stereoselectivity and mechanism of the epoxidation reaction.

Manifestation: 5ème colloque maghrébin surla chimie hétérocyclique CMCH5-2022

Date: 2022-07-13

Organisation: Meknès

Hemisynthesis & theoritical investigation of the stereselectivity and mechanism of the epoxidation reaction of epoxide-α'-trans-himachalene

Manifestation: 3rd international scientific day of Taroudant

Date: 2022-05-14

Organisation: Taroudant