All Stories

  1. Computer-aided discovery of CDK16 inhibitors: a docking-augmented machine learning regression modelling approach

    Article • Journal of Computer-Aided Molecular Design, April 2026, Springer Science + Business Media

    prof mutasem taha

  2. Arbutus andrachne Extracts Exhibit In Vitro Neuraminidase (N9) Inhibitory Activity: A Potential Herbal Strategy Against Avian Influenza

    Article • Life, March 2026, MDPI AG

    prof mutasem taha

  3. Recent developments in pharmacophore-based modeling of Ca 2+/ Calmodulin-dependent protein kinase II delta (CaMkIIδ) inhibitors for heart failure therapy

    Article • Expert Opinion on Drug Discovery, March 2026, Taylor & Francis

    prof mutasem taha

  4. Innovative integration of molecular docking and machine learning for drug discovery: from virtual screening to nanomolar inhibitors

    Article • Chemical Communications, January 2026, Royal Society of Chemistry

    prof mutasem taha

  5. Deep learning model for activity cliffs prediction: a comprehensive approach to protein kinase inhibitors

    Article • Journal of Computer-Aided Molecular Design, December 2025, Springer Science + Business Media

    prof mutasem taha

  6. Novel diazepine-carbamate derivatives as dual-acting butyrylcholinesterase inhibitors and antioxidants for Alzheimer’s disease

    Article • Medicinal Chemistry Research, October 2025, Springer Science + Business Media

    prof mutasem taha

  7. Identification and evaluation of potent AAK1 inhibitors through structure-based pharmacophores, virtual screening and bioassay screening

    Article • Medicinal Chemistry Research, August 2025, Springer Science + Business Media

    prof mutasem taha

  8. Computational discovery of novel PI3KC2α inhibitors using structure-based pharmacophore modeling, machine learning and molecular dynamic simulation

    Article • Journal of Molecular Graphics and Modelling, June 2025, Elsevier

    prof mutasem taha

  9. Design, synthesis and biological evaluation of monoglyceride lipase inhibitors guided by dipeptidyl peptidase IV inhibitors

    Article • Medicinal Chemistry Research, May 2025, Springer Science + Business Media

    prof mutasem taha

  10. Discovery of New HER2 Inhibitors via Computational Docking, Pharmacophore Modeling, and Machine Learning

    Article • Molecular Informatics, February 2025, Wiley

    prof mutasem taha

  11. Recognition-induced destabilization: controlled release from molecularly imprinted chitosan nanoparticles via specific, non-catalytic enzyme recognition

    Article • RSC Advances, January 2025, Royal Society of Chemistry

    prof mutasem taha

  12. Quinoline and coumarin isoxazole derivatives: synthesis, antitumor evaluation and molecular docking studies with Bcl-2

    Article • RSC Advances, January 2025, Royal Society of Chemistry

    prof mutasem taha

  13. Advances in the design and discovery of next-generation janus kinase-2 (JAK2) inhibitors for the treatment of myeloproliferative neoplasms

    Article • Expert Opinion on Drug Discovery, October 2024, Taylor & Francis

    prof mutasem taha

  14. Docking-guided exploration of the anti-flt3 potential of isoindigo derivatives towards potential treatments of acute myeloid leukemia

    Article • Medicinal Chemistry Research, June 2024, Springer Science + Business Media

    prof mutasem taha

  15. Synthesis of novel benzothieno-[3,2’-f][1,3] oxazepines and their isomeric 2-oxo-2H-spiro[benzothiophene-3,3’-pyrrolines] via 1,4-dipolar cycloaddition reaction and their evaluation as cytotoxic anticancer leads

    Article • Medicinal Chemistry Research, May 2024, Springer Science + Business Media

    prof mutasem taha

  16. Protein characteristics substantially influence the propensity of activity cliffs among kinase inhibitors

    Article • Scientific Reports, April 2024, Springer Science + Business Media

    prof mutasem taha

  17. Preparation of novel shell-ionotropically crosslinked micelles based on hexadecylamine and tripolyphosphate for cancer drug delivery

    Article • Pharmaceutical Development and Technology, March 2024, Taylor & Francis

    prof mutasem taha

  18. Ligand-based pharmacophore modeling and machine learning for the discovery of potent aurora A kinase inhibitory leads of novel chemotypes

    Article • Molecular Diversity, March 2024, Springer Science + Business Media

    prof mutasem taha

  19. Structure‐Based Approaches for the Prediction of Alzheimer's Disease Inhibitors: Comparative Interactions Analysis, Pharmacophore Modeling and Molecular Dynamics Simulations

    Article • ChemistrySelect, February 2024, Wiley

    prof mutasem taha

  20. Synthesis and antitumor activity of model cyclopentene-[g]annelated isoindigos

    Article • Zeitschrift für Naturforschung C, January 2024, De Gruyter

    prof mutasem taha

  21. Discovery of potent maternal embryonic leucine zipper kinase (MELK) inhibitors of novel chemotypes using structure-based pharmacophores

    Article • Medicinal Chemistry Research, October 2023, Springer Science + Business Media

    prof mutasem taha

  22. Synthesis, anticancer evaluation and docking studies of novel adamantanyl-1,3,4-oxadiazol hybrid compounds as Aurora-A kinase inhibitors

    Article • Medicinal Chemistry Research, September 2023, Springer Science + Business Media

    prof mutasem taha

  23. Tableting-induced mechanochemical matrix crosslinking: Towards non-disintegrating chitosan-based sustained delivery tablets

    Article • Journal of Drug Delivery Science and Technology, September 2023, Elsevier

    prof mutasem taha

  24. 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

    Article • Journal of Computer-Aided Molecular Design, August 2023, Springer Science + Business Media

    prof mutasem taha

  25. Augmenting bioactivity by docking‐generated multiple ligand poses to enhance machine learning and pharmacophore modelling: discovery of new TTK inhibitors as case study

    Article • Molecular Informatics, June 2023, Wiley

    prof mutasem taha

  26. Development of phosphoinositide 3-kinase delta (PI3Kδ) inhibitors as potential anticancer agents through the generation of ligand-based pharmacophores and biological screening

    Article • Medicinal Chemistry Research, April 2023, Springer Science + Business Media

    prof mutasem taha, Full Professor Mahmoud A Al-Sha'er

  27. Asenapine as a Potential Lead Inhibitor against Central Ca2+/Calmodulin-Dependent Protein Kinase II: Investigation by Docking Simulation and Experimental Validation

    Article • The Open Medicinal Chemistry Journal, February 2023, Bentham Science Publishers

    prof mutasem taha

  28. Discovery of new STAT3 inhibitors as anticancer agents using ligand-receptor contact fingerprints and docking-augmented machine learning

    Article • RSC Advances, January 2023, Royal Society of Chemistry

    prof mutasem taha

  29. Molecular docking, molecular dynamics simulations and in vitro screening reveal cefixime and ceftriaxone as GSK3β covalent inhibitors

    Article • RSC Advances, January 2023, Royal Society of Chemistry

    prof mutasem taha

  30. A Click Synthesis, Molecular Docking and Biological Evaluation of 1,2,3-triazoles-benzoxazepine hybrid as potential anticancer agents

    Article • Medicinal Chemistry Research, December 2022, Springer Science + Business Media

    prof mutasem taha

  31. Dipeptidyl Peptidase-IV Blockers Potently Inhibit Monoglyceride Lipase: Investigation By Docking Studies And In Vitro Bioassay

    Article • Medicinal Chemistry Research, December 2022, Springer Science + Business Media

    prof mutasem taha

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

    Article • Medicinal Chemistry, October 2022, Bentham Science Publishers

    prof mutasem taha

  33. Biological Evaluation and Reverse Pharmacophore Mapping of Innovative Bis-Triazoles as Promising Anticancer Agents

    Article • The Open Medicinal Chemistry Journal, September 2022, Bentham Science Publishers

    prof mutasem taha

  34. 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

    Article • Molecular Informatics, September 2022, Wiley

    prof mutasem taha, Full Professor Mahmoud A Al-Sha'er

  35. Discovery of new PKN2 inhibitory chemotypes via QSAR-guided selection of docking-based pharmacophores

    Article • Molecular Diversity, May 2022, Springer Science + Business Media

    prof mutasem taha, Full Professor Mahmoud A Al-Sha'er

  36. Vitamin B12 binding to mutated human transcobalamin, in-silico study of TCN2 alanine scanning and ClinVar missense mutations/SNPs

    Article • Journal of Biomolecular Structure and Dynamics, March 2022, Taylor & Francis

    prof mutasem taha

  37. The study aimed to assess side effects among Arab communities after receiving a COVID-19 vaccine.

    Article • Vaccines, February 2022, MDPI AG

    prof mutasem taha, Dr. Marwan Al-Raeei

  38. Activity Cliffs As Protein-Related Phenomenon: Investigation Using Machine Learning Against Numerous Protein Kinases

    Article • January 2022, Research Square

    prof mutasem taha

  39. Exploiting activity cliffs for building pharmacophore models and comparison with other pharmacophore generation methods: sphingosine kinase 1 as case study

    Article • Journal of Computer-Aided Molecular Design, January 2022, Springer Science + Business Media

    prof mutasem taha

  40. Discovery of new Cdc2-like kinase 4 (CLK4) inhibitors via pharmacophore exploration combined with flexible docking-based ligand/receptor contact fingerprints and machine learning

    Article • RSC Advances, January 2022, Royal Society of Chemistry

    prof mutasem taha

  41. Discovery of new potent lysine specific histone demythelase-1 inhibitors (LSD-1) using structure based and ligand based molecular modelling and machine learning

    Article • RSC Advances, January 2022, Royal Society of Chemistry

    prof mutasem taha

  42. Design and Synthesis of New JAK1 Inhibitors based on Sulfonamide- Triazine Conjugates

    Article • Current Computer - Aided Drug Design, December 2021, Bentham Science Publishers

    prof mutasem taha

  43. Inhibition of protein kinases by proton pump inhibitors: computational screening and in vitro evaluation

    Article • Medicinal Chemistry Research, October 2021, Springer Science + Business Media

    prof mutasem taha

  44. Inhibition of aggregation of amyloid-β through covalent modification with benzylpenicillin; potential relevance to Alzheimer's disease

    Article • Biochemistry and Biophysics Reports, July 2021, Elsevier

    prof mutasem taha

  45. Docking-generated multiple ligand poses for bootstrapping bioactivity classifying Machine Learning: Repurposing covalent inhibitors for COVID-19-related TMPRSS2 as case study

    Article • Computational and Structural Biotechnology Journal, January 2021, Elsevier

    prof mutasem taha

  46. Structure-Based Discovery and Bioactivity Evaluation of Novel Aurora-A Kinase Inhibitors as Anticancer Agents via Docking-Based Comparative Intermolecular Contacts Analysis (dbCICA)

    Article • Molecules, December 2020, MDPI AG

    prof mutasem taha

  47. Comprehensive Structural and Molecular Comparison of Spike Proteins of SARS-CoV-2, SARS-CoV and MERS-CoV, and Their Interactions with ACE2

    Article • Cells, December 2020, MDPI AG

    prof mutasem taha

  48. Pharmacophore modeling of JAK1: A target infested with activity-cliffs

    Article • Journal of Molecular Graphics and Modelling, September 2020, Elsevier

    prof mutasem taha

  49. Elaboration of Novel TTK1 Inhibitory Leads via QSAR-Guided Selection of Crystallographic Pharmacophores Followed By In vitro Assay

    Article • Current Computer - Aided Drug Design, June 2020, Bentham Science Publishers

    Full Professor Mahmoud A Al-Sha'er, prof mutasem taha

  50. Ligand Based Pharmacophore Modeling Followed by Biological Screening Lead to Discovery of Novel PDK1 Inhibitors as Anticancer Agents

    Article • Anti-Cancer Agents in Medicinal Chemistry, May 2020, Bentham Science Publishers

    Full Professor Mahmoud A Al-Sha'er, Professor Iman abdel-salam Mansi, prof mutasem taha

  51. Design and Synthesis of New Sulfonamides-Based Flt3 Inhibitors

    Article • Medicinal Chemistry, April 2020, Bentham Science Publishers

    prof mutasem taha, Reem Abutayeh

  52. Discovery of new JNK3 inhibitory chemotypes via QSAR-Guided selection of docking-based pharmacophores and comparison with other structure-based pharmacophore modeling methods

    Article • Journal of Molecular Graphics and Modelling, September 2019, Elsevier

    prof mutasem taha

  53. Discovery of New Phosphoinositide 3-kinase Delta (PI3Kδ) Inhibitors via Virtual Screening using Crystallography-derived Pharmacophore Modelling and QSAR Analysis

    Article • Medicinal Chemistry, August 2019, Bentham Science Publishers

    Full Professor Mahmoud A Al-Sha'er, prof mutasem taha

  54. QSAR-guided pharmacophore modeling and subsequent virtual screening identify novel TYK2 inhibitor

    Article • Medicinal Chemistry Research, June 2019, Springer Science + Business Media

    prof mutasem taha

  55. Degradability of chitosan micro/nanoparticles for pulmonary drug delivery

    Article • Heliyon, May 2019, Elsevier

    prof mutasem taha

  56. Discovery of novel Flt3 inhibitory chemotypes through extensive ligand-based and new structure-based pharmacophore modelling methods

    Article • Journal of Molecular Graphics and Modelling, May 2019, Elsevier

    prof mutasem taha

  57. The herbicide quinclorac as potent lipase inhibitor: Discovery via virtual screening and in vitro/in vivo validation

    Article • Chemical Biology & Drug Design, January 2019, Wiley

    prof mutasem taha

  58. Inhibition of dipeptidyl peptidase IV by fexofenadine: Virtual screening study

    Article • Journal of Applied Biology & Biotechnology, January 2019, Journal of Applied Pharmaceutical Science

    prof mutasem taha

  59. Leader for anticancer

    Article • Letters in Drug Design & Discovery, October 2018, Bentham Science Publishers

    Professor Salim Said Sabri, prof mutasem taha, Ali Muhammad Almansour

  60. Ligand-based modeling of Akt3 lead to potent dual Akt1/Akt3 inhibitor

    Article • Journal of Molecular Graphics and Modelling, August 2018, Elsevier

    Full Professor Mahmoud A Al-Sha'er, prof mutasem taha

  61. Synthesis and Structure-Activity Relationship; Exploration of some Potent Anti-Cancer Phenyl Amidrazone Derivatives

    Article • Medicinal Chemistry, July 2018, Bentham Science Publishers

    prof mutasem taha

  62. Discovery of new Gyrase β inhibitors via structure based modeling

    Article • Computational Biology and Chemistry, June 2018, Elsevier

    prof mutasem taha

  63. Exploring the influence of culture conditions on kefir's anticancer properties

    Article • Journal of Dairy Science, May 2018, American Dairy Science Association

    prof mutasem taha

  64. Combining Stochastic Deformation/Relaxation and Intermolecular Contacts Analysis for Extracting Pharmacophores from Ligand–Receptor Complexes

    Article • Journal of Chemical Information and Modeling, March 2018, American Chemical Society (ACS)

    prof mutasem taha

  65. Ligand-based computational modelling of platelet-derived growth factor beta receptor leading to new angiogenesis inhibitory leads

    Article • Computational Biology and Chemistry, December 2017, Elsevier

    prof mutasem taha

  66. Novel nanoparticles based on chitosan-dicarboxylate conjugates via tandem ionotropic/covalent crosslinking with tripolyphosphate and subsequent evaluation as drug delivery vehicles

    Article • International Journal of Pharmaceutics, August 2017, Elsevier

    prof mutasem taha

  67. Docking-based comparative intermolecular contacts analysis and in silico screening reveal new potent acetylcholinesterase inhibitors

    Article • Medicinal Chemistry Research, July 2017, Springer Science + Business Media

    prof mutasem taha

  68. Simulated annealing molecular dynamics and ligand–receptor contacts analysis for pharmacophore modeling

    Article • Future Medicinal Chemistry, July 2017, Future Science

    prof mutasem taha

  69. Computational modeling of the bat HKU4 coronavirus 3CLpro inhibitors as a tool for the development of antivirals against the emerging Middle East respiratory syndrome (MERS) coronavirus

    Article • Journal of Molecular Recognition, June 2017, Wiley

    prof mutasem taha

  70. Unsupervised pharmacophore modeling combined with QSAR analyses revealed novel low micromolar SIRT2 inhibitors

    Article • Journal of Molecular Recognition, March 2017, Wiley

    prof mutasem taha

  71. pharmacophore modelling

    Article • Anti-Cancer Agents in Medicinal Chemistry, January 2017, Bentham Science Publishers

    prof mutasem taha

  72. Rosmarinic acid reverses the effects of metronidazole-induced infertility in male albino rats

    Article • Reproduction Fertility and Development, January 2017, CSIRO Publishing

    prof mutasem taha

  73. Discovery of novel potent nuclear factor kappa-B inhibitors (IKK-β) via extensive ligand-based modeling and virtual screening

    Article • Journal of Molecular Recognition, December 2016, Wiley

    Full Professor Mahmoud A Al-Sha'er, prof mutasem taha

  74. Combining molecular dynamics simulation and ligand-receptor contacts analysis as a new approach for pharmacophore modeling: beta-secretase 1 and check point kinase 1 as case studies

    Article • Journal of Computer-Aided Molecular Design, October 2016, Springer Science + Business Media

    prof mutasem taha

  75. Computer-aided discovery of new FGFR-1 inhibitors followed by in vitro validation

    Article • Future Medicinal Chemistry, October 2016, Future Science

    prof mutasem taha

  76. Discovery of potent adenosine A2a antagonists as potential anti-Parkinson disease agents. Non-linear QSAR analyses integrated with pharmacophore modeling

    Article • Chemico-Biological Interactions, July 2016, Elsevier

    prof mutasem taha

  77. Novel anticancer compound [trifluoromethyl-substituted pyrazole N-nucleoside] inhibits FLT3 activity to induce differentiation in acute myeloid leukemia cells

    Article • Cancer Letters, June 2016, Elsevier

    Dr Mohammad A Aziz, prof mutasem taha

  78. Pharmacophore and QSAR Modeling of Neuronal Nitric Oxide Synthase Ligands and Subsequent Validation and In Silico Search for New Scaffolds

    Article • Medicinal Chemistry, May 2016, Bentham Science Publishers

    Dr Ghadeer A.R.Y Suaifan, prof mutasem taha

  79. Cytotoxic activity of the novel heterocyclic compound G-11 is primarily mediated through intrinsic apoptotic pathway

    Article • APOPTOSIS, May 2016, Springer Science + Business Media

    Dr Mohammad A Aziz, prof mutasem taha

  80. Discovery of new selective cytotoxic agents against Bcl-2 expressing cancer cells using ligand-based modeling

    Article • Chemico-Biological Interactions, April 2016, Elsevier

    prof mutasem taha

  81. Innovative computer-aided methods for the discovery of new kinase ligands

    Article • Future Medicinal Chemistry, April 2016, Future Science

    prof mutasem taha

  82. Ligand-based modeling of diverse aryalkylamines yields new potent P-glycoprotein inhibitors

    Article • European Journal of Medicinal Chemistry, March 2016, Elsevier

    prof mutasem taha

  83. Inhibitory Effects of New Mercapto Xanthine Derivatives in Human mcf7 and k562 Cancer Cell Lines

    Article • Journal of Heterocyclic Chemistry, February 2016, Wiley

    prof mutasem taha

  84. QSAR studies in the discovery of novel type-II diabetic therapies

    Article • Expert Opinion on Drug Discovery, December 2015, Informa Healthcare

    prof mutasem taha

  85. Synthesis and characterization of chitosan-lactate–phthalate and evaluation of the corresponding zinc- and aluminum-crosslinked beads as potential controlled release matrices

    Article • European Polymer Journal, December 2015, Elsevier

    prof mutasem taha

  86. β-Caryophyllene as putative male contraceptive: enhances spermatogenesis but not spermiogenesis in albino rats

    Article • Medicinal Chemistry Research, August 2015, Springer Science + Business Media

    prof mutasem taha

  87. Synthesis and evaluation of novel diphenylthiazole derivatives as potential anti-inflammatory agents

    Article • Medicinal Chemistry Research, July 2015, Springer Science + Business Media

    prof mutasem taha

  88. Antiproliferative activity of the isoindigo 5′-Br in HL-60 cells is mediated by apoptosis, dysregulation of mitochondrial functions and arresting cell cycle at G0/G1 phase

    Article • Cancer Letters, June 2015, Elsevier

    Dr Mohammad A Aziz, prof mutasem taha

  89. Combining docking-based comparative intermolecular contacts analysis and k-nearest neighbor correlation for the discovery of new check point kinase 1 inhibitors

    Article • Journal of Computer-Aided Molecular Design, May 2015, Springer Science + Business Media

    prof mutasem taha

  90. Ligand-based modeling followed by in vitro bioassay yielded new potent glucokinase activators

    Article • Journal of Molecular Graphics and Modelling, March 2015, Elsevier

    prof mutasem taha

  91. The Anticancer Activity of the Substituted Pyridone-Annelated Isoindigo (5'-Cl) Involves G0/G1 Cell Cycle Arrest and Inactivation of CDKs in the Promyelocytic Leukemia Cell Line HL-60

    Article • Cellular Physiology and Biochemistry, January 2015, Karger Publishers

    Dr Mohammad A Aziz, prof mutasem taha

  92. Tryptophan and thiosemicarbazide derivatives: design, synthesis, and biological evaluation as potential β-d-galactosidase and β-d-glucosidase inhibitors

    Article • Medicinal Chemistry Research, December 2014, Springer Science + Business Media

    Prof. Reema Abu Khalaf, prof mutasem taha, Mohammad S. Mubarak

  93. Enhanced drug encapsulation and extended release profiles of calcium–alginate nanoparticles by using tannic acid as a bridging cross-linking agent

    Article • Journal of Microencapsulation, November 2014, Taylor & Francis

    prof mutasem taha

  94. Discovery of nanomolar phosphoinositide 3-kinase gamma (PI3Kγ) inhibitors using ligand-based modeling and virtual screening followed by in vitro analysis

    Article • European Journal of Medicinal Chemistry, September 2014, Elsevier

    Full Professor Mahmoud A Al-Sha'er, prof mutasem taha

  95. Oleuropein potently inhibits mammalian target of rapamycin: possible involvement of tandem anomeric hyperconjugation–Michael reaction

    Article • Medicinal Chemistry Research, July 2014, Springer Science + Business Media

    prof mutasem taha

  96. Ritodrine inhibits neuronal nitric oxide synthase, a potential link between tocolysis and autism

    Article • Medicinal Chemistry Research, June 2014, Springer Science + Business Media

    Dr Ghadeer A.R.Y Suaifan, prof mutasem taha

  97. The use of docking-based comparative intermolecular contacts analysis to identify optimal docking conditions within glucokinase and to discover of new GK activators

    Article • Journal of Computer-Aided Molecular Design, March 2014, Springer Science + Business Media

    prof mutasem taha

  98. Elaborate ligand-based modeling reveals new human neutrophil elastase inhibitors

    Article • Medicinal Chemistry Research, March 2014, Springer Science + Business Media

    prof mutasem taha

  99. Synthesis and Antitumor Activities of Some NewN1-(Flavon-6-yl)amidrazone Derivatives

    Article • Archiv der Pharmazie, February 2014, Wiley

    prof mutasem taha

  100. Discovery of novel urokinase plasminogen activator (uPA) inhibitors using ligand-based modeling and virtual screening followed by in vitro analysis

    Article • Journal of Molecular Modeling, January 2014, Springer Science + Business Media

    Full Professor Mahmoud A Al-Sha'er, prof mutasem taha

  101. Elaborate ligand-based modeling coupled with QSAR analysis and in silico screening reveal new potent acetylcholinesterase inhibitors

    Article • Journal of Computer-Aided Molecular Design, December 2013, Springer Science + Business Media

    prof mutasem taha

  102. Design, Synthesis and Biological Evaluation of N4-Sulfonamido- Succinamic, Phthalamic, Acrylic and Benzoyl Acetic Acid Derivatives as Potential DPP IV Inhibitors

    Article • The Open Medicinal Chemistry Journal, November 2013, Bentham Science Publishers

    Prof. Reema Abu Khalaf, Full Professor Mahmoud A Al-Sha'er, prof mutasem taha

  103. Elaborate Ligand-Based Modeling Coupled with Multiple Linear Regression and k Nearest Neighbor QSAR Analyses Unveiled New Nanomolar mTOR Inhibitors

    Article • Journal of Chemical Information and Modeling, October 2013, American Chemical Society (ACS)

    prof mutasem taha

  104. Preparation andin vitrocharacterization of glibenclamide-loaded alginate hexyl-amide beads: a novel drug delivery system to improve the dissolution rate

    Article • Pharmaceutical Development and Technology, September 2013, Taylor & Francis

    prof mutasem taha

  105. Synthesis and characterization of new derivatives of alginic acid and evaluation of their iron(III)-crosslinked beads as potential controlled release matrices

    Article • Pharmaceutical Development and Technology, September 2013, Taylor & Francis

    prof mutasem taha

  106. Regression of endometrial implants treated with vitamin D3 in a rat model of endometriosis

    Article • European Journal of Pharmacology, September 2013, Elsevier

    prof mutasem taha

  107. New leads for DPP IV inhibition: structure-based pharmacophore mapping and virtual screening study

    Article • Archives of Pharmacal Research, August 2013, Springer Science + Business Media

    prof mutasem taha

  108. Sunitinib as an anti-endometriotic agent

    Article • European Journal of Pharmaceutical Sciences, July 2013, Elsevier

    prof mutasem taha

  109. Synthesis of a Novel Chitosan-Based Polymer and Application as a Matrix for Controlled Drug Delivery

    Article • Jordan Journal of Pharmaceutical Sciences, July 2013, The University of Jordan

    prof mutasem taha

  110. Naproxen and Cromolyn as New Glycogen Synthase Kinase 3β Inhibitors for Amelioration of Diabetes and Obesity: An Investigation by Docking Simulation and Subsequent In Vitro/In Vivo Biochemical Evaluation

    Article • Journal of Biochemical and Molecular Toxicology, June 2013, Wiley

    Professor Tarek Kamal Metawie, Dr Mohamed A S Al Ghussein, prof mutasem taha

  111. Design, synthesis and structure–activity relationship of new HSL inhibitors guided by pharmacophore models

    Article • Medicinal Chemistry Research, May 2013, Springer Science + Business Media

    prof mutasem taha

  112. Elaborate ligand-based modeling reveal new migration inhibitory factor inhibitors

    Article • Journal of Molecular Graphics and Modelling, May 2013, Elsevier

    Full Professor Mahmoud A Al-Sha'er, prof mutasem taha

  113. Pharmacophore modeling, homology modeling, and in silico screening reveal mammalian target of rapamycin inhibitory activities for sotalol, glyburide, metipranolol, sulfamethizole, glipizide, and pioglitazone

    Article • Journal of Molecular Graphics and Modelling, May 2013, Elsevier

    prof mutasem taha

  114. β-Caryophyllene causes regression of endometrial implants in a rat model of endometriosis without affecting fertility

    Article • European Journal of Pharmacology, February 2013, Elsevier

    prof mutasem taha

  115. Evaluation of naproxen and cromolyn activities against cancer cells viability, proliferation, apoptosis, p53 and gene expression of survivin and caspase-3

    Article • Journal of Enzyme Inhibition and Medicinal Chemistry, January 2013, Taylor & Francis

    Professor Tarek Kamal Metawie, Dr Mohamed A S Al Ghussein, prof mutasem taha

  116. Ligand-based pharmacophore exploration and QSAR analysis of transition state analogues followed by in silico screening guide the discovery of new sub-micromolar β-secreatase inhibitors

    Article • Medicinal Chemistry Research, August 2012, Springer Science + Business Media

    prof mutasem taha

  117. Synthesis and biological activity assays of some new N1-(flavon-7-yl)amidrazone derivatives and related congeners

    Article • European Journal of Medicinal Chemistry, August 2012, Elsevier

    prof mutasem taha, Mohammad S. Mubarak

  118. Extensive ligand-based modeling and in silico screening reveal nanomolar inducible nitric oxide synthase (iNOS) inhibitors

    Article • Journal of Molecular Graphics and Modelling, July 2012, Elsevier

    Dr Ghadeer A.R.Y Suaifan, prof mutasem taha

  119. Application of docking-based comparative intermolecular contacts analysis to validate Hsp90α docking studies and subsequent in silico screening for inhibitors

    Article • Journal of Molecular Modeling, June 2012, Springer Science + Business Media

    Full Professor Mahmoud A Al-Sha'er, prof mutasem taha

  120. Famotidine inhibits glycogen synthase kinase-3β: An investigation by docking simulation and experimental validation

    Article • Journal of Enzyme Inhibition and Medicinal Chemistry, April 2012, Taylor & Francis

    Dr Mohamed A S Al Ghussein, prof mutasem taha

  121. Elaborate ligand-based modeling and subsequent synthetic exploration unveil new nanomolar Ca2+/calmodulin-dependent protein kinase II inhibitory leads

    Article • Bioorganic & Medicinal Chemistry, January 2012, Elsevier

    prof mutasem taha

  122. Elaborate ligand-based modeling reveal new submicromolar Rho kinase inhibitors

    Article • Journal of Computer-Aided Molecular Design, December 2011, Springer Science + Business Media

    prof mutasem taha

  123. Effect of particle morphology and pore size on the release kinetics of ephedrine from mesoporous MCM-41 materials

    Article • Journal of Porous Materials, December 2011, Springer Science + Business Media

    prof mutasem taha

  124. Design, synthesis, and biological evaluation of sulfonic acid ester and benzenesulfonamide derivatives as potential CETP inhibitors

    Article • Medicinal Chemistry Research, November 2011, Springer Science + Business Media

    Prof. Reema Abu Khalaf, Full Professor Mahmoud A Al-Sha'er, prof mutasem taha

  125. Ethosuximide and Phenobarbital Promote Wound Healing via Enhancing Collagenization

    Article • Chemical Biology & Drug Design, November 2011, Wiley

    prof mutasem taha

  126. Ligand-based modelling followed by synthetic exploration unveil novel glycogen phosphorylase inhibitory leads

    Article • Bioorganic & Medicinal Chemistry, August 2011, Elsevier

    prof mutasem taha

  127. Discovery of New Antifungal Leads via Pharmacophore Modeling and QSAR Analysis of Fungal N‐Myristoyl Transferase Inhibitors Followed by In Silico Screening

    Article • Chemical Biology & Drug Design, July 2011, Wiley

    Professor Amjad M. Qandil, Prof. Reema Abu Khalaf, prof mutasem taha

  128. Thujone corrects cholesterol and triglyceride profiles in diabetic rat model

    Article • Natural Product Research, July 2011, Taylor & Francis

    prof mutasem taha

  129. Discovery of new nanomolar peroxisome proliferator-activated receptor γ activators via elaborate ligand-based modeling

    Article • European Journal of Medicinal Chemistry, June 2011, Elsevier

    Dr Alexander Chong, prof mutasem taha

  130. Discovery of new renin inhibitory leads via sequential pharmacophore modeling, QSAR analysis, in silico screening and in vitro evaluation

    Article • Journal of Molecular Graphics and Modelling, April 2011, Elsevier

    prof mutasem taha

  131. Preparation of Silver- and Zinc-Doped Mullite-Based Ceramics Showing Anti-Bacterial Biofilm Properties

    Article • Molecules, March 2011, MDPI AG

    prof mutasem taha

  132. Docking-Based Comparative Intermolecular Contacts Analysis as New 3-D QSAR Concept for Validating Docking Studies and in Silico Screening: NMT and GP Inhibitors as Case Studies

    Article • Journal of Chemical Information and Modeling, March 2011, American Chemical Society (ACS)

    prof mutasem taha

  133. Preparation of Polyester-Based Metal-Cross Linked Polymeric Composites as Novel Materials Resistant to Bacterial Adhesion and Biofilm Formation

    Article • Molecules, January 2011, MDPI AG

    prof mutasem taha

  134. Rational exploration of new pyridinium-based HSP90α inhibitors tailored to thiamine structure

    Article • Medicinal Chemistry Research, January 2011, Springer Science + Business Media

    Full Professor Mahmoud A Al-Sha'er, prof mutasem taha

  135. Some sulfonamide drugs inhibit ATPase activity of heat shock protein 90: investigation by docking simulation and experimental validation

    Article • Journal of Enzyme Inhibition and Medicinal Chemistry, December 2010, Taylor & Francis

    Full Professor Mahmoud A Al-Sha'er, prof mutasem taha

  136. Elaborate Ligand-Based Modeling Reveals New Nanomolar Heat Shock Protein 90α Inhibitors

    Article • Journal of Chemical Information and Modeling, September 2010, American Chemical Society (ACS)

    Full Professor Mahmoud A Al-Sha'er, prof mutasem taha

  137. Discovery of novel CDK1 inhibitors by combining pharmacophore modeling, QSAR analysis and in silico screening followed by in vitro bioassay

    Article • European Journal of Medicinal Chemistry, September 2010, Elsevier

    Full Professor Mahmoud A Al-Sha'er, prof mutasem taha

  138. Discovery of new β-D-galactosidase inhibitors via pharmacophore modeling and QSAR analysis followed by in silico screening

    Article • Journal of Computational Chemistry, August 2010, Wiley

    Prof. Reema Abu Khalaf, prof mutasem taha

  139. Discovery of new β-d-glucosidase inhibitors via pharmacophore modeling and QSAR analysis followed by in silico screening

    Article • Journal of Molecular Modeling, May 2010, Springer Science + Business Media

    Prof. Reema Abu Khalaf, prof mutasem taha

  140. Elaborate ligand-based pharmacophore exploration and QSAR analysis guide the synthesis of novel pyridinium-based potent β-secretase inhibitory leads

    Article • Bioorganic & Medicinal Chemistry, May 2010, Elsevier

    prof mutasem taha

  141. Discovery of new cholesteryl ester transfer protein inhibitors via ligand-based pharmacophore modeling and QSAR analysis followed by synthetic exploration

    Article • European Journal of Medicinal Chemistry, April 2010, Elsevier

    Prof. Reema Abu Khalaf, prof mutasem taha

  142. Pharmacophore and QSAR modeling of estrogen receptor β ligands and subsequent validation and in silico search for new hits

    Article • Journal of Molecular Graphics and Modelling, January 2010, Elsevier

    prof mutasem taha

  143. In Silico Screening for Non‐nucleoside HIV‐1 Reverse Transcriptase Inhibitors Using Physicochemical Filters and High‐Throughput Docking Followed by In Vitro Evaluation

    Article • Chemical Biology & Drug Design, August 2009, Wiley

    prof mutasem taha

  144. Inhibition of dipeptidyl peptidase IV (DPP IV) is one of the mechanisms explaining the hypoglycemic effect of berberine

    Article • Journal of Enzyme Inhibition and Medicinal Chemistry, July 2009, Taylor & Francis

    prof mutasem taha

  145. Homology modeling of MCH1 receptor and validation by docking/scoring and protein-aligned CoMFA

    Article • European Journal of Medicinal Chemistry, June 2009, Elsevier

    prof mutasem taha

  146. Pharmacophore Modeling, Quantitative Structure−Activity Relationship Analysis, and Shape-Complemented in Silico Screening Allow Access to Novel Influenza Neuraminidase Inhibitors

    Article • Journal of Chemical Information and Modeling, April 2009, American Chemical Society (ACS)

    prof mutasem taha

  147. Docking Simulations and in Vitro Assay Unveil Potent Inhibitory Action of Papaverine against Protein Tyrosine Phosphatase 1B

    Article • Biological and Pharmaceutical Bulletin, January 2009, Pharmaceutical Society of Japan

    prof mutasem taha

  148. Discovery of DPP IV Inhibitors by Pharmacophore Modeling and QSAR Analysis followed by in silico Screening

    Article • ChemMedChem, November 2008, Wiley

    prof mutasem taha

  149. Development of predictive in silico model for cyclosporine- and aureobasidin-based P-glycoprotein inhibitors employing receptor surface analysis

    Article • Journal of Molecular Graphics and Modelling, November 2008, Elsevier

    prof mutasem taha

  150. Inhibition of glycogen synthase kinase by curcumin: Investigation by simulated molecular docking and subsequentin vitro/in vivoevaluation

    Article • Journal of Enzyme Inhibition and Medicinal Chemistry, October 2008, Taylor & Francis

    Dr Mohamed A S Al Ghussein, prof mutasem taha

  151. Combining Ligand-Based Pharmacophore Modeling, Quantitative Structure−Activity Relationship Analysis and in Silico Screening for the Discovery of New Potent Hormone Sensitive Lipase Inhibitors

    Article • Journal of Medicinal Chemistry, September 2008, American Chemical Society (ACS)

    prof mutasem taha

  152. Pharmacophore Modeling, Quantitative Structure–Activity Relationship Analysis, and in Silico Screening Reveal Potent Glycogen Synthase Kinase-3β Inhibitory Activities for Cimetidine, Hydroxychloroquine, and Gemifloxacin

    Article • Journal of Medicinal Chemistry, April 2008, American Chemical Society (ACS)

    Dr Mohamed A S Al Ghussein, prof mutasem taha

  153. Olanzapine inhibits glycogen synthase kinase-3β: An investigation by docking simulation and experimental validation

    Article • European Journal of Pharmacology, April 2008, Elsevier

    Dr Mohamed A S Al Ghussein, prof mutasem taha

  154. Discovery of new MurF inhibitors via pharmacophore modeling and QSAR analysis followed by in-silico screening

    Article • Bioorganic & Medicinal Chemistry, February 2008, Elsevier

    Dr Catherine Paradis-Bleau, prof mutasem taha

  155. Sodium lauryl sulfate impedes drug release from zinc-crosslinked alginate beads: Switching from enteric coating release into biphasic profiles

    Article • International Journal of Pharmaceutics, February 2008, Elsevier

    prof mutasem taha

  156. Combining docking, scoring and molecular field analyses to probe influenza neuraminidase–ligand interactions

    Article • Journal of Molecular Graphics and Modelling, September 2007, Elsevier

    prof mutasem taha

  157. Discovery of new potent human protein tyrosine phosphatase inhibitors via pharmacophore and QSAR analysis followed by in silico screening

    Article • Journal of Molecular Graphics and Modelling, March 2007, Elsevier

    prof mutasem taha

  158. Effect of Ionic Crosslinking on the Drug Release Properties ofChitosan Diacetate Matrices

    Article • Journal of Pharmaceutical Sciences, January 2007, Elsevier

    prof mutasem taha

  159. Discovery of potent inhibitors of pseudomonal quorum sensing via pharmacophore modeling and in silico screening

    Article • Bioorganic & Medicinal Chemistry Letters, November 2006, Elsevier

    prof mutasem taha

  160. Synthesis and in vitro behavior of iron-crosslinked N-methyl and N-benzyl hydroxamated derivatives of alginic acid as controlled release carriers

    Article • European Polymer Journal, October 2006, Elsevier

    prof mutasem taha

  161. Berberine potently inhibits protein tyrosine phosphatase 1B: Investigation by docking simulation and experimental validation

    Article • Journal of Enzyme Inhibition and Medicinal Chemistry, January 2006, Taylor & Francis

    prof mutasem taha

  162. Effects of Variable Docking Conditions and Scoring Functions on Corresponding Protein-Aligned Comparative Molecular Field Analysis Models Constructed from Diverse Human Protein Tyrosine Phosphatase 1B Inhibitors

    Article • Journal of Medicinal Chemistry, November 2005, American Chemical Society (ACS)

    prof mutasem taha

  163. Ligand-based assessment of factor Xa binding site flexibility via elaborate pharmacophore exploration and genetic algorithm-based QSAR modeling

    Article • European Journal of Medicinal Chemistry, July 2005, Elsevier

    Professor Amjad M. Qandil, prof mutasem taha

  164. QSPR modeling of pseudoternary microemulsions formulated employing lecithin surfactants: Application of data mining, molecular and statistical modeling

    Article • International Journal of Pharmaceutics, May 2005, Elsevier

    prof mutasem taha

  165. Development of quantitative structure–property relationship models for pseudoternary microemulsions formulated with nonionic surfactants and cosurfactants: application of data mining and molecular modeling

    Article • European Journal of Pharmaceutical Sciences, June 2002, Elsevier

    prof mutasem taha

  166. Synthesis of iron-crosslinked chitosan succinate and iron-crosslinked hydroxamated chitosan succinate and their in vitro evaluation as potential matrix materials for oral theophylline sustained-release beads

    Article • European Journal of Pharmaceutical Sciences, May 2001, Elsevier

    prof mutasem taha

  167. Spectrophotometric and Conductometric Study of the Complexation of Ranitidine to Fez+, Fe3+, Al*, Mg*+, Cu", Ni2+ and PtP+ Metal Ions: Pharmaceutical Implications

    Article • Scientia Pharmaceutica, October 2000, MDPI AG

    prof mutasem taha

  168. N-Acyliminium ion cyclisation versus rearrangement. The synthesis of 13,13-dimethylberberines and 3,4-dimethylisoquinolin-1-ones

    Article • Tetrahedron Letters, March 2000, Elsevier

    prof mutasem taha

  169. The bis(homoallylic) stabilisation of an acyliminium ion and reactions with nucleophiles

    Article • Tetrahedron Letters, May 1998, Elsevier

    prof mutasem taha

  170. The Oxidation of Homophthalimide Derivatives by Dioxygen in Alkaline Media and Cleavage-Cyclisation Reactions

    Article • Tetrahedron Letters, April 1997, Elsevier

    prof mutasem taha

  171. A Concise Route to Tetrahydrophenanthridinones and Functionalised Isoquinolones

    Article • Synlett, September 1996, Thieme Publishing Group

    prof mutasem taha