Search Results - "El Rhabori, Said"

QSAR, molecular docking and ADMET studies of quinoline, isoquinoline and quinazoline derivatives against Plasmodium falciparum malaria by El Rhabori, Said, El Aissouq, Abdellah, Chtita, Samir, Khalil, Fouad

“…With the aim of researching new antimalarial drugs, a series of quinoline, isoquinoline, and quinazoline derivatives were studied against the Plasmodium…”
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Design, 3D-QSAR, molecular docking, ADMET, molecular dynamics and MM-PBSA simulations for new anti-breast cancer agents by El Rhabori, Said, Alaqarbeh, Marwa, El Aissouq, Abdellah, Bouachrine, Mohammed, Chtita, Samir, Khalil, Fouad

“…Breast cancer is the most frequent form of malignant tumor in women, and represents a major public health problem due to its high mortality rate. Although a…”
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Design of new molecules against cervical cancer using DFT, theoretical spectroscopy, 2D/3D-QSAR, molecular docking, pharmacophore and ADMET investigations by El Rhabori, Said, El Aissouq, Abdellah, Daoui, Ossama, Elkhattabi, Souad, Chtita, Samir, Khalil, Fouad

“…Cervical cancer is a major health problem of women. Hormone therapy, via aromatase inhibition, has been proposed as a promising way of blocking estrogen…”
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Design of novel quinoline derivatives as antibreast cancer using 3D-QSAR, molecular docking and pharmacokinetic investigation by El Rhabori, Said, El Aissouq, Abdellah, Chtita, Samir, Khalil, Fouad

“…Breast cancer has been one of the most challenging women’s cancers and leading cause of mortality for decades. There are several studies being conducted all…”
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3D-QSAR, molecular docking and ADMET studies of thioquinazolinone derivatives against breast cancer by El Rhabori, Said, El Aissouq, Abdellah, Chtita, Samir, Khalil, Fouad

“…Breast cancer is a deadly disease and the second largest cause of mortality on a worldwide platform. Despite the availability of several cancer treatments,…”
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Exploring innovative strategies for identifying anti-breast cancer compounds by integrating 2D/3D-QSAR, molecular docking analyses, ADMET predictions, molecular dynamics simulations, and MM-PBSA approaches by El Rhabori, Said, Alaqarbeh, Marwa, El Allouche, Yassine, Naanaai, Lhoucine, El Aissouq, Abdellah, Bouachrine, Mohammed, Chtita, Samir, Khalil, Fouad

“…•2D/ 3D QSAR models have strong external prediction performance.•The findings of CoMSIA were confirmed by molecular docking, then the binding modes were…”
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Chemoinformatics Study of Benzodiazepine-1, 2, 3-triazole Derivatives Targeting Butyrylcholinesterase by El Allouche, Yassine, Alaqarbeh, Marwa, El Aissouq, Abdellah, El Rhabori, Said, Ech-Chahdi, Youssra, Bouachrine, Mohammed, Zaitan, Hicham, Khalil, Fouad

“…This study aims to assess the potential bioactivity of newly designed benzodiazepine-1,2,3-triazole derivatives using in-silico methodologies, with a primary…”
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