Publications by authors named "Safa Daoud"

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Deep learning model for activity cliffs prediction: a comprehensive approach to protein kinase inhibitors.
Said Elaiwat, Safa Daoud, Nour Jamal Jaradat, Mutasem Taha

J Comput Aided Mol Des· December 2025

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Computational discovery of novel PI3KC2α inhibitors using structure-based pharmacophore modeling, machine learning and molecular dynamic simulation.
Bana Katrib, Ahmed Adel, Mohammed Abadleh, Safa Daoud, Mutasem Taha

J Mol Graph Model· June 2025

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Discovery of New HER2 Inhibitors via Computational Docking, Pharmacophore Modeling, and Machine Learning.
Aseel Yasin Matrouk, Haneen Mohammad, Safa Daoud, Mutasem Omar Taha

Mol Inform· February 2025

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Ligand-based pharmacophore modeling and machine learning for the discovery of potent aurora A kinase inhibitory leads of novel chemotypes.
Rajaa Banat, Safa Daoud, Mutasem Omar Taha

Mol Divers· December 2024

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Advances in the design and discovery of next-generation janus kinase-2 (JAK2) inhibitors for the treatment of myeloproliferative neoplasms.
Safa Daoud, Mutasem Omar Taha

Expert Opin Drug Discov· December 2024

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Protein characteristics substantially influence the propensity of activity cliffs among kinase inhibitors.
Safa Daoud, Mutasem Taha

Sci Rep· April 2024

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Augmenting bioactivity by docking-generated multiple ligand poses to enhance machine learning and pharmacophore modelling: discovery of new TTK inhibitors as case study.
Amenah M Al-Imam, Safa Daoud, Ma'mon M Hatmal, Mutasem Omar Taha

Mol Inform· June 2023

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Pharmacophore Modeling of Targets Infested with Activity Cliffs via Molecular Dynamics Simulation Coupled with QSAR and Comparison with other Pharmacophore Generation Methods: KDR as Case Study.
Alaa Abudayah, Safa Daoud, Mahmoud A Al-Sha'er, Mutasem Omar Taha

Mol Inform· November 2022

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The first detection of Pneumocystis jirovecii in asthmatic patients post-COVID-19 in Jordan.
Ahmad Riyad Alsayed, Wamidh Talib, Abdullah Al-Dulaimi, Safa Daoud, Mohammed Al Maqbali

Bosn J Basic Med Sci· September 2022

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Evaluation and molecular modelling of bis-Schiff base derivatives as potential leads for management of diabetes mellitus.
Safa Daoud, Samar Thiab, Taghreed M A Jazzazi, Tareq M A Al-Shboul, Saeed Ullah

Acta Pharm· September 2022

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Plants as a Source of Anticancer Agents: From Bench to Bedside.
Wamidh H Talib, Safa Daoud, Asma Ismail Mahmod, Reem Ali Hamed, Dima Awajan

Molecules· July 2022

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Ligand-based Modeling of CXC Chemokine Receptor 4 and Identification of Inhibitors of Novel Chemotypes as Potential Leads towards New Anti- COVID-19 Treatments.
Safa Daoud, Mutasem Taha

Med Chem· June 2022

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Assessing health-related behaviors among Jordanian children during COVID-19 pandemic: A cross-sectional study.
Samar Thiab, Muna Barakat, Raja'a Qudah, Iman Basheti, Safa Daoud

Pharm Pract (Granada)· June 2022

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Discovery of new Cdc2-like kinase 4 (CLK4) inhibitors pharmacophore exploration combined with flexible docking-based ligand/receptor contact fingerprints and machine learning.
Mai Fayiz Al-Tawil, Safa Daoud, Ma'mon M Hatmal, Mutasem Omar Taha

RSC Adv· March 2022

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Design and Synthesis of New JAK1 Inhibitors based on Sulfonamide- Triazine Conjugates.
Safa Daoud, Mutasem O Taha

Curr Comput Aided Drug Des· January 2022

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Identification of potential COVID-19 main protease inhibitors using structure-based pharmacophore approach, molecular docking and repurposing studies.
Safa Daoud, Shada J Alabed, Lina A Dahabiyeh

Acta Pharm· June 2021

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Melatonin in Cancer Treatment: Current Knowledge and Future Opportunities.
Wamidh H Talib, Ahmad Riyad Alsayed, Alaa Abuawad, Safa Daoud, Asma Ismail Mahmod

Molecules· April 2021

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Plant-Derived Natural Products in Cancer Research: Extraction, Mechanism of Action, and Drug Formulation.
Wamidh H Talib, Izzeddin Alsalahat, Safa Daoud, Reem Fawaz Abutayeh, Asma Ismail Mahmod

Molecules· November 2020

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Pharmacophore modeling of JAK1: A target infested with activity-cliffs.
Safa Daoud, Mutasem O Taha

J Mol Graph Model· September 2020

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Preparation, Physicochemical Characterization and Biological Evaluation of some Hesperidin Metal Complexes.
Safa Daoud, Fatma U Afifi, Amal G Al-Bakri, Violet Kasabri, Imad I Hamdan

Iran J Pharm Res· October 2014

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