Publications by authors named "Adnane Aouidate"

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Supervised machine learning and molecular docking modeling to identify potential Anti-Parkinson's agents.
Adib Ghaleb, Adnane Aouidate, Mohammed Aarjane, Hafid Anane

J Mol Graph Model· September 2025

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A million shades of green: understanding and harnessing plant metabolic diversity.
Rocky D Payet, Adnane Aouidate, Rebecca Casson, Alan Houghton, Mai-Truc Pham

EMBO J· August 2025

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Cortistatin and plakinamine steroidal alkaloids from the marine sponges of the genus : insights into their chemistry, pharmacology, pharmacokinetics and structure activity relationships (SARs).
Mohamed A Tammam, Adnane Aouidate, Manar M Mahmoud, Mariam I Gamal El-Din, Amr El-Demerdash

RSC Adv· March 2025

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Cephalostatins and ritterazines: Distinctive dimeric marine-derived steroidal pyrazine alkaloids with intriguing anticancer activities.
Mohamed A Tammam, Mariam I Gamal El-Din, Adnane Aouidate, Amr El-Demerdash

Bioorg Chem· October 2024

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Computational insights into rational design and virtual screening of pyrazolopyrimidine derivatives targeting Janus kinase 3 (JAK3).
Abdelmoujoud Faris, Ivana Cacciatore, Radwan Alnajjar, Adnane Aouidate, Mohammed H Al Mughram

Front Chem· August 2024

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Revealing innovative JAK1 and JAK3 inhibitors: a comprehensive study utilizing QSAR, 3D-Pharmacophore screening, molecular docking, molecular dynamics, and MM/GBSA analyses.
Abdelmoujoud Faris, Ivana Cacciatore, Radwan Alnajjar, Hadni Hanine, Adnane Aouidate

Front Mol Biosci· March 2024

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Computational 3D Modeling-Based Identification of Inhibitors Targeting Cysteine Covalent Bond Catalysts for JAK3 and CYP3A4 Enzymes in the Treatment of Rheumatoid Arthritis.
Abdelmoujoud Faris, Radwan Alnajjar, Jingjing Guo, Mohammed H Al Mughram, Adnane Aouidate

Molecules· December 2023

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In silico molecular investigations of pyridine N-Oxide compounds as potential inhibitors of SARS-CoV-2: 3D QSAR, molecular docking modeling, and ADMET screening.
Adib Ghaleb, Adnane Aouidate, Hicham Ben El Ayouchia, Mohammed Aarjane, Hafid Anane

J Biomol Struct Dyn· January 2022

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Identification of a novel dual-target scaffold for 3CLpro and RdRp proteins of SARS-CoV-2 using 3D-similarity search, molecular docking, molecular dynamics and ADMET evaluation.
Adnane Aouidate, Adib Ghaleb, Samir Chtita, Mohammed Aarjane, Abdellah Ousaa

J Biomol Struct Dyn· August 2021

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Discovery of Potent SARS-CoV-2 Inhibitors from Approved Antiviral Drugs via Docking and Virtual Screening.
Samir Chtita, Assia Belhassan, Adnane Aouidate, Salah Belaidi, Mohammed Bouachrine

Comb Chem High Throughput Screen· March 2021

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QSAR study of unsymmetrical aromatic disulfides as potent avian SARS-CoV main protease inhibitors using quantum chemical descriptors and statistical methods.
Samir Chtita, Assia Belhassan, Mohamed Bakhouch, Abdelali Idrissi Taourati, Adnane Aouidate

Chemometr Intell Lab Syst· March 2021

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Discovering Anti-Cancer Drugs Computational Methods.
Wenqiang Cui, Adnane Aouidate, Shouguo Wang, Qiuliyang Yu, Yanhua Li

Front Pharmacol· May 2020

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QSAR study of anti-Human African Trypanosomiasis activity for 2-phenylimidazopyridines derivatives using DFT and Lipinski's descriptors.
Samir Chtita, Mounir Ghamali, Abdellah Ousaa, Adnane Aouidate, Assia Belhassan

Heliyon· March 2019

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In Silico Exploration of Aryl Halides Analogues as Checkpoint Kinase 1 Inhibitors by Using 3D QSAR, Molecular Docking Study, and ADMET Screening.
Adib Ghaleb, Adnane Aouidate, Mohammed Bouachrine, Tahar Lakhlifi, Abdelouhid Sbai

Adv Pharm Bull· February 2019

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3D QSAR studies, molecular docking and ADMET evaluation, using thiazolidine derivatives as template to obtain new inhibitors of PIM1 kinase.
Adnane Aouidate, Adib Ghaleb, Mounir Ghamali, Abdellah Ousaa, M'barek Choukrad

Comput Biol Chem· June 2018

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QSAR study and rustic ligand-based virtual screening in a search for aminooxadiazole derivatives as PIM1 inhibitors.
Adnane Aouidate, Adib Ghaleb, Mounir Ghamali, Samir Chtita, Abdellah Ousaa

Chem Cent J· March 2018

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Computer aided drug design based on 3D-QSAR and molecular docking studies of 5-(1H-indol-5-yl)-1,3,4-thiadiazol-2-amine derivatives as PIM2 inhibitors: a proposal to chemists.
Adnane Aouidate, Adib Ghaleb, Mounir Ghamali, Samir Chtita, Abdellah Ousaa

In Silico Pharmacol· March 2018

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QSAR studies on PIM1 and PIM2 inhibitors using statistical methods: a rustic strategy to screen for 5-(1H-indol-5-yl)-1,3,4-thiadiazol analogues and predict their PIM inhibitory activity.
Adnane Aouidate, Adib Ghaleb, Mounir Ghamali, Samir Chtita, M'barek Choukrad

Chem Cent J· May 2017

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