Publications by authors named "Mohamed Labd Taha"

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Synthesis, molecular structure, spectroscopic, electronic properties, molecular docking, and molecular dynamics studies on novel 1,2,3-triazole-thiosemicarbazone: A potent breast cancer drug.
Younesse Ait Elmachkouri, R Rajesh, Ali Altharawi, Alfind Paul Frit A, Manal A Alossaimi, Mohamed Labd Taha

Comput Biol Chem· December 2025

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Triazole-Schiff Base Hybrids as Potential Dual Inhibitors of Bcl-2 and EGFR: Synthesis, Characterization, and Computational Insights.
Mohamed Enneiymy, Abd Elaziz Rahhou, Younesse Ait Elmachkouri, Ali Hasnaoui, Mohamed Labd Taha

J Fluoresc· December 2025

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Synthesis, X-ray diffraction, and computational studies of acyclovir and HBG analogs derived from Triazolyl-1,4-benzothiazine and their oxidized forms for breast cancer and SARS-CoV-2.
Ezaddine Irrou, Younesse Ait Elmachkouri, Olivier Blaqcue, Ali Oubella, Md Tabish Rehman, Mohamed Labd Taha

Comput Biol Chem· October 2025

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Effectiveness of a novel C4-substituted heterocyclic organic pyrazolone as a corrosion inhibitor for mild steel in 1.0 M HCl: electrochemical, surface analytical and theoretical studies.
Youssef Adnan, Younesse Ait Elmachkouri, Noureddine Idlahoussaine, Ezaddine Irrou, Brahim El Ibrahimi, Mohamed Labd Taha

RSC Adv· October 2025

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Synthesis, crystal structure, anticancer activity and computational studies of novel Pyrazolo[4',3':5,6]pyrano[2,3-]pyrimidine derivatives as potential anticancer agents.
Younesse Ait Elmachkouri, Ezaddine Irrou, Imane Yamari, Samir Chtita, Yahya Toubi, Mohamed Labd Taha

Future Med Chem· September 2025

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Synthesis, crystal structure, spectroscopic characterization, DFT calculations, Hirshfeld surface analysis, molecular docking, and molecular dynamics simulation investigations of novel pyrazolopyranopyrimidine derivatives.
Younesse Ait Elmachkouri, Ezaddine Irrou, Aravazhi Amalan Thiruvalluvar, El Hassane Anouar, Venkatramanan Varadharajan, Mohamed Labd Taha

J Biomol Struct Dyn· November 2024

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Thiazolidinone-linked-1,2,3-triazoles with (R)-Carvone as new potential anticancer agents.
Ali Oubella, Manal A Alossaimi, Yassine Riadi, Mashooq Ahmad Bhat, Ahmed Hassan Bakheit, Mohamed Labd Taha

Future Med Chem· August 2024

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Discovery of a new Bcl-2 inhibitor through synthesis, anticancer activity, docking and MD simulations.
Said Byadi, Bimoussa Abdoullah, Mourad Fawzi, Ezaddine Irrou, Younesse Ait Elmachkouri, Mohamed Labd Taha

J Biomol Struct Dyn· May 2024

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Crystal structure, Hirshfeld surface analysis, crystal voids, inter-action energy calculations and energy frameworks and DFT calculations of ethyl 2-cyano-3-(3-hy-droxy-5-methyl-1-pyrazol-4-yl)-3-phen-yl-propano-ate.
Younesse Ait Elmachkouri, Ezaddine Irrou, Hanae El Monfalouti, Ahmed Mazzah, Tuncer Hökelek, Mohamed Labd Taha

Acta Crystallogr E Crystallogr Commun· February 2024

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Hybrids of thiazolidinone with 1,2,3-triazole derivatives: design, synthesis, biological evaluation, studies, molecular docking, molecular dynamics simulations, and ADMET profiling.
Abdoullah Bimoussa, Mourad Fawzi, Ali Oubella, Syeda Abida Ejaz, Muhammad Sajjad Bilal, Mohamed Labd Taha

J Biomol Struct Dyn· December 2023

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Crystal structure, Hirshfeld surface and crystal void analysis, inter-molecular inter-action energies, DFT calculations and energy frameworks of 2-benzo[][1,4]thia-zin-3(4)-one 1,1-dioxide.
Ezaddine Irrou, Younesse Ait Elmachkouri, Ahmed Mazzah, Tuncer Hökelek, Amal Haoudi, Mohamed Labd Taha

Acta Crystallogr E Crystallogr Commun· November 2023

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Combined molecular dynamics simulations and experimental studies of the removal of cationic dyes on the eco-friendly adsorbent of activated carbon decorated montmorillonite Mt@AC.
Hassan Ouachtak, Anouar El Guerdaoui, Rachid El Haouti, Redouane Haounati, Hamza Ighnih, Mohamed Labd Taha

RSC Adv· February 2023

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Crystal structure determination, Hirshfeld surface, crystal void, inter-molecular inter-action energy analyses, as well as DFT and energy framework calculations of 2-(4-oxo-4,5-di-hydro-1-pyra-zolo[3,4-]pyrimidin-1-yl)acetic acid.
Ezaddine Irrou, Younesse Ait Elmachkouri, Ali Oubella, Hassan Ouchtak, Samira Dalbouha, Mohamed Labd Taha

Acta Crystallogr E Crystallogr Commun· September 2022

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Synthesis and Identification of Novel Potential Molecules Against COVID-19 Main Protease Through Structure-Guided Virtual Screening Approach.
Youness El Bakri, El Hassane Anouar, Sajjad Ahmad, Amal A Nassar, Mohamed Labd Taha

Appl Biochem Biotechnol· November 2021

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Crystal structure, Hirshfeld surface analysis and inter-action energy calculation of 1-decyl-2,3-di-hydro-1-benzimidazol-2-one.
Younesse Ait Elmachkouri, Asmaa Saber, Ezaddine Irrou, Bushra Amer, Joel T Mague, Mohamed Labd Taha

Acta Crystallogr E Crystallogr Commun· May 2021

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Crystal structure, Hirshfeld surface analysis and DFT studies of 1-benzyl-3-[(1-benzyl-1-1,2,3-triazol-5-yl)meth-yl]-2,3-di-hydro-1-1,3-benzo-diazol-2-one monohydrate.
Asmaa Saber, Nada Kheira Sebbar, Tuncer Hökelek, Mohamed Labd Taha, Joel T Mague

Acta Crystallogr E Crystallogr Commun· January 2020

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Crystal structure, Hirshfeld surface analysis and inter-action energy and DFT studies of (2)-4-benzyl-2-(2,4-di-chloro-benzyl-idene)-2-1,4-benzo-thia-zin-3(4)-one.
Nada Kheira Sebbar, Brahim Hni, Tuncer Hökelek, Mohamed Labd Taha, Joel T Mague

Acta Crystallogr E Crystallogr Commun· November 2019

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Crystal structure, Hirshfeld surface analysis and inter-action energy and DFT studies of 3-{(2)-2-[(2,4-di-chloro-phen-yl)methyl-idene]-3-oxo-3,4-di-hydro-2-1,4-benzo-thia-zin-4-yl}propane-nitrile.
Nada Kheira Sebbar, Brahim Hni, Tuncer Hökelek, Abdelhakim Jaouhar, Mohamed Labd Taha

Acta Crystallogr E Crystallogr Commun· June 2019

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Crystal structure and Hirshfeld surface analysis of 3,4-dihydro-2-(2,4-dioxo-6-methylpyran-3-ylidene)-4-(4-pyridin-4-yl)-1,5-benzodiazepine.
Lhoussaine El Ghayati, Youssef Ramli, Tuncer Hökelek, Mohamed Labd Taha, Joel T Mague

Acta Crystallogr E Crystallogr Commun· January 2019

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Dichlorido(3,5,5'-trimethyl-1,3'-bi-1H-pyrazole-κN,N)copper(II).
Lhoussaine El Ghayati, Lahcen El Ammari, Mohamed Labd Taha, El Mostafa Tjiou

Acta Crystallogr Sect E Struct Rep Online· February 2011

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Synthesis and anti-HSV activity of new N1-acyclic C4 and C6-disubstituted pyrazolo[3,4-d]pyrimidine nucleosides.
Omar Moukha-chafiq, Mohamed Labd Taha, Abdelmalek Mouna

Nucleosides Nucleotides Nucleic Acids· March 2008

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Synthesis and biological evaluation of some alpha-[6-(1'-carbamoylalkylthio)-1 H-pyrazolo[3,4-D]pyrimidin-4-yl]thioalkylcarboxamide acyclonucleosides.
Omar Moukha-Chafiq, Mohamed Labd Taha, Abdelmalek Mouna, Hassan Bihi Lazrek, Jean-Jacques Vasseur

Nucleosides Nucleotides Nucleic Acids· July 2007

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Synthesis and antiviral activity of some C2-, C4-, and C6-substituted pyrazolo[3,4-D]pyrimidine acyclonucleosides with the alkylating chains of ACV, HBG, and ISO-DHPG.
Omar Moukha-Chafiq, Mohamed Labd Taha, Hassan Bihi Lazrek, Jean-Jacques Vasseur, Erik De Clercq

Nucleosides Nucleotides Nucleic Acids· October 2006

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Synthesis and biological activity of some 4-substituted 1-[1-(2,3-dihydroxy-1-propoxy)methyl-1,2,3-triazol-(4 & 5)-ylmethyl]-1H-pyrazolo[3,4-d]pyrimidines.
Omar Moukha-chafiq, Mohamed Labd Taha, Hassan Bihi Lazrek, Jean-Jacques Vasseur, Christophe Pannecouque

Farmaco· January 2002

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