Publications by authors named "Mutasem Taha"

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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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Quinoline and coumarin isoxazole derivatives: synthesis, antitumor evaluation and molecular docking studies with Bcl-2.
Martina Piškor, Marina Ter, Leentje Persoons, Dirk Daelemans, Ahmed Adel, Mutasem O Taha

RSC Adv· December 2025

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Recognition-induced destabilization: controlled release from molecularly imprinted chitosan nanoparticles specific, non-catalytic enzyme recognition.
Mutasem O Taha, Isra Dmour, Ramzi Mukred Saeed, Taqwa Alfararjeh, Inshad Jum'h

RSC Adv· October 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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Preparation of novel shell-ionotropically crosslinked micelles based on hexadecylamine and tripolyphosphate for cancer drug delivery.
Enas Alkhafaji, Isra Dmour, Mohamed K Al-Essa, Walhan Alshaer, Ahmad Aljaberi, Mutasem O Taha

Pharm Dev Technol· April 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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Synthesis and antitumor activity of model cyclopentene-[]annelated isoindigos.
Mustafa M El-Abadelah, Ahmad H Abdullah, Jalal A Zahra, Salim S Sabri, Sanaa K Bardaweel, Mutasem O Taha

Z Naturforsch C J Biosci· January 2024

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Computational workflow for discovering small molecular binders for shallow binding sites by integrating molecular dynamics simulation, pharmacophore modeling, and machine learning: STAT3 as case study.
Nour Jamal Jaradat, Mamon Hatmal, Dana Alqudah, Mutasem Omar Taha

J Comput Aided Mol Des· December 2023

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Correction to: Computational workflow for discovering small molecular binders for shallow binding sites by integrating molecular dynamics simulation, pharmacophore modeling, and machine learning: STAT3 as case study.
Nour Jamal Jaradat, Mamon Hatmal, Dana Alqudah, Mutasem Omar Taha

J Comput Aided Mol Des· December 2023

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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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Vitamin B12 binding to mutated human transcobalamin, in-silico study of TCN2 alanine scanning and ClinVar missense mutations/SNPs.
Omar Abuyaman, Ma'mon M Hatmal, Nawal Hijjawi, Ahmad A Deeb, Mohammad Abuothman, Mutasem Taha

J Biomol Struct Dyn· May 2023

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Molecular docking, molecular dynamics simulations and screening reveal cefixime and ceftriaxone as GSK3β covalent inhibitors.
Husam Nassar, Wolfgang Sippl, Rana Abu Dahab, Mutasem Taha

RSC Adv· April 2023

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Discovery of new PKN2 inhibitory chemotypes via QSAR-guided selection of docking-based pharmacophores.
Mahmoud A Al-Sha'er, Haneen A Basheer, Mutasem O Taha

Mol Divers· February 2023

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Discovery of new STAT3 inhibitors as anticancer agents using ligand-receptor contact fingerprints and docking-augmented machine learning.
Nour Jamal Jaradat, Walhan Alshaer, Mamon Hatmal, Mutasem Omar Taha

RSC Adv· January 2023

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Discovery of new potent lysine specific histone demythelase-1 inhibitors (LSD-1) using structure based and ligand based molecular modelling and machine learning.
Shada J Alabed, Malek Zihlif, Mutasem Taha

RSC Adv· December 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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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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Reported Adverse Effects and Attitudes among Arab Populations Following COVID-19 Vaccination: A Large-Scale Multinational Study Implementing Machine Learning Tools in Predicting Post-Vaccination Adverse Effects Based on Predisposing Factors.
Ma'mon M Hatmal, Mohammad A I Al-Hatamleh, Amin N Olaimat, Rohimah Mohamud, Mirna Fawaz, Mutasem O Taha

Vaccines (Basel)· February 2022

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Exploiting activity cliffs for building pharmacophore models and comparison with other pharmacophore generation methods: sphingosine kinase 1 as case study.
Lubabah A Mousa, Ma'mon M Hatmal, Mutasem Taha

J Comput Aided Mol Des· January 2022

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Docking-generated multiple ligand poses for bootstrapping bioactivity classifying Machine Learning: Repurposing covalent inhibitors for COVID-19-related TMPRSS2 as case study.
Ma'mon M Hatmal, Omar Abuyaman, Mutasem Taha

Comput Struct Biotechnol J· August 2021

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Inhibition of aggregation of amyloid-β through covalent modification with benzylpenicillin; potential relevance to Alzheimer's disease.
Izzeddin Alsalahat, Zubida M Al-Majdoub, Mutasem O Taha, Jill Barber, Harmesh Aojula

Biochem Biophys Rep· July 2021

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Novel Ellipsoid Chitosan-Phthalate Lecithin Nanoparticles for siRNA Delivery.
Ramzi Mukred Saeed, Mohammed Abdullah, Mamoun Ahram, Mutasem Omar Taha

Front Bioeng Biotechnol· July 2021

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