Adnane Aouidate

John Innes Centre — United Kingdom

Computer Science · Physical Sciences

15h-index1.0kcitations51works2.92yr avg
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Research Topics

Computational Drug Discovery Methods(35), Synthesis and biological activity(24), Synthesis and Characterization of Heterocyclic Compounds(5), Cancer Mechanisms and Therapy(4), Monoclonal and Polyclonal Antibodies Research(3)

Publications51 total

A million shades of green: understanding and harnessing plant metabolic diversity
The EMBO Journal·2025· 2 citedOpen Access
Supervised machine learning and molecular docking modeling to identify potential Anti-Parkinson's agents
Journal of Molecular Graphics and Modelling·2025· 1 cited
Investigating the Chemical Diversity of Herg Inhibitors Using Cheminformatics and Machine Learning
Journal of Computational Biophysics and Chemistry·2025
Cortistatin and plakinamine steroidal alkaloids from the marine sponges of the genus <i>Corticium</i>: insights into their chemistry, pharmacology, pharmacokinetics and structure activity relationships (SARs)
RSC Advances·2025Open Access
Investigating the Structure–Activity Relationship of Laulimalides Marine Macrolides as Promising Inhibitors for SARS-CoV-2 Main Protease (Mpro)
Journal of Computational Biophysics and Chemistry·2024· 1 cited
Computational insights into rational design and virtual screening of pyrazolopyrimidine derivatives targeting Janus kinase 3 (JAK3)
Frontiers in Chemistry·2024· 4 citedOpen Access
Cephalostatins and ritterazines: Distinctive dimeric marine-derived steroidal pyrazine alkaloids with intriguing anticancer activities
Bioorganic Chemistry·2024· 4 cited
Exploring the chemical space of BRAF Inhibitors: A cheminformatic and Machine learning analysis
Journal of Molecular Liquids·2024· 8 cited
Revealing innovative JAK1 and JAK3 inhibitors: a comprehensive study utilizing QSAR, 3D-Pharmacophore screening, molecular docking, molecular dynamics, and MM/GBSA analyses
Frontiers in Molecular Biosciences·2024· 12 citedOpen Access
Supervised Machine Learning and Molecular Docking Modeling to Identify Potential Anti-Parkinson's Agents
SSRN Electronic Journal·2024Open Access
Machine Learning and Molecular Docking Studies to Identify Potential Anti-Parkinson's Agents
SSRN Electronic Journal·2024Open Access
Computational 3D Modeling-Based Identification of Inhibitors Targeting Cysteine Covalent Bond Catalysts for JAK3 and CYP3A4 Enzymes in the Treatment of Rheumatoid Arthritis
Molecules·2023· 7 citedOpen Access
Predictive study of the end of the Covid-19 pandemic in Morocco by regression, and ARIMA modeling (p, d, q)
2021
QSAR study of unsymmetrical aromatic disulfides as potent avian SARS-CoV main protease inhibitors using quantum chemical descriptors and statistical methods
Chemometrics and Intelligent Laboratory Systems·2021· 65 citedOpen Access
Automatic solution for solar cell photo-current prediction using machine learning
E3S Web of Conferences·2021· 3 citedOpen Access
In silico molecular investigations of pyridine N-Oxide compounds as potential inhibitors of SARS-CoV-2: 3D QSAR, molecular docking modeling, and ADMET screening
Journal of Biomolecular Structure and Dynamics·2020· 38 cited
Theoretical modeling and experimental studies of Terebinth extracts as green corrosion inhibitor for iron in 3% NaCl medium
Journal of King Saud University - Science·2020· 74 citedOpen Access
Discovery of Potent SARS-CoV-2 Inhibitors from Approved Antiviral Drugs via Docking and Virtual Screening
Combinatorial Chemistry & High Throughput Screening·2020· 60 cited
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
Journal of Biomolecular Structure and Dynamics·2020· 55 citedOpen Access
Synthesis, antibacterial evaluation, in silico ADMET and molecular docking studies of new N-acylhydrazone derivatives from acridone
Arabian Journal of Chemistry·2020· 34 citedOpen Access
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Frequent Co-authors

Tahar Lakhlifi(31), Mohammed Bouachrıne(30), Adib Ghaleb(28), Samir Chtita(18), Mounir Ghamali(18), Abdelouahid Sbai(16), Abdellah Ousaa(14), M’barek Choukrad(12), Mohammed Aarjane(6), Assia Belhassan(5), B. Elidrissi(5), Hamid Maghat(4), Abdelmoujoud Faris(4), Abdelali Idrissi Taourati(3), Radwan Alnajjar(3), Menana Elhallaoui(3), Mohamed A. Tammam(3), Mariam I. Gamal El‐Din(3), Amr El‐Demerdash(3), Salah Belaıdı(2)