List of works - Mutasem O. Taha

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.

scientific article published on 16 March 2015

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

scientific article published on June 16, 2012

Berberine potently inhibits protein tyrosine phosphatase 1B: investigation by docking simulation and experimental validation

scientific article published on 01 April 2006

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

scientific article published on 12 March 2018

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

scientific article published in September 2007

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

scientific article published on 9 May 2015

Combining ligand-based pharmacophore modeling, quantitative structure-activity relationship analysis and in silico screening for the discovery of new potent hormone sensitive lipase inhibitors.

scientific article published on 20 September 2008

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

scientific article published on 8 October 2016

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

scientific article published on 08 December 2020

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

scientific article published on 13 June 2017

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

scientific article published on 19 September 2016

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

scientific article published on 6 May 2016

Degradability of chitosan micro/nanoparticles for pulmonary drug delivery

scientific article published on 15 May 2019

Design and Synthesis of New Sulfonamides-Based Flt3 Inhibitors

scientific article published on 01 April 2019

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

scientific article

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

scientific article published on 13 August 2008

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

scientific article

Discovery of DPP IV inhibitors by pharmacophore modeling and QSAR analysis followed by in silico screening.

scientific article

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

scientific article published on 01 January 2019

Discovery of Potent Bruton's Tyrosine Kinase Inhibitors Using Ligand Based Modeling.

scientific article published on 26 September 2016

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

scientific article published on 18 July 2014

Discovery of new Gyrase β inhibitors via structure based modeling

scientific article published on 19 March 2018

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

scientific article published on 23 May 2019

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

scientific article published on 7 November 2007

Discovery of new antifungal leads via pharmacophore modeling and QSAR analysis of fungal N-myristoyl transferase inhibitors followed by in silico screening.

scientific article

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

scientific article published on 14 January 2010

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

scientific article published on 25 March 2011

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

scientific article published on 3 September 2006

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

scientific article published on 13 February 2011

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

scientific article

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

scientific article published on 20 August 2010

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

scientific article published on 21 May 2010

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

scientific article published on 30 June 2010

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

scientific article published on 22 January 2019

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

scientific article

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

scientific article published on 28 January 2014

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

scientific article published on 20 May 2016

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

scientific article published on 30 August 2006

Docking simulations and in vitro assay unveil potent inhibitory action of papaverine against protein tyrosine phosphatase 1B. ⬇️

scientific article

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 ⬇️

scientific article published on March 3, 2011

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

scientific article published on 01 January 2007

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

scientific article

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

scientific article published on 3 November 2011

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

scientific article published on 12 December 2013

Elaborate ligand-based modeling coupled with multiple linear regression and k nearest neighbor QSAR analyses unveiled new nanomolar mTOR inhibitors.

scientific article published on 4 October 2013

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

scientific article published on 28 March 2013

Elaborate ligand-based modeling reveal new submicromolar Rho kinase inhibitors

scientific article published on 14 December 2011

Elaborate ligand-based modeling reveals new nanomolar heat shock protein 90α inhibitors.

scientific article published on September 2010

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

scientific article published on 21 November 2014

Ethosuximide and phenobarbital promote wound healing via enhancing collagenization

scientific article published on 04 November 2011

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

scientific article published on 31 January 2013

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

scientific article published on 01 March 2018

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

scientific article published on 13 April 2012

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

scientific article published on 18 April 2012

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

scientific article published on 5 February 2009

In silico screening for non-nucleoside HIV-1 reverse transcriptase inhibitors using physicochemical filters and high-throughput docking followed by in vitro evaluation.

scientific article published in September 2009

Inhibition of glycogen synthase kinase by curcumin: Investigation by simulated molecular docking and subsequent in vitro/in vivo evaluation.

scientific article

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

scientific article published on 13 April 2016

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

scientific article published in July 2005

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

scientific article published on 10 October 2017

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

scientific article published on 24 December 2014

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

scientific article

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

scientific article published on 21 January 2016

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

scientific article published on 7 July 2011

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

scientific article published on 06 August 2013

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

scientific article published on 23 February 2016

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

scientific article published on 17 June 2017

Olanzapine inhibits glycogen synthase kinase-3beta: an investigation by docking simulation and experimental validation.

scientific article

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

scientific article published on 2 October 2015

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

scientific article published on 30 September 2009

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

scientific article published on 21 April 2020

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

scientific article published on 13 March 2013

Pharmacophore modeling, quantitative structure-activity relationship analysis, and in silico screening reveal potent glycogen synthase kinase-3beta inhibitory activities for cimetidine, hydroxychloroquine, and gemifloxacin.

scientific article published on 7 March 2008

Pharmacophore modeling, quantitative structure-activity relationship analysis, and shape-complemented in silico screening allow access to novel influenza neuraminidase inhibitors

scientific article published in April 2009

Preparation and in vitro characterization of glibenclamide-loaded alginate hexyl-amide beads: a novel drug delivery system to improve the dissolution rate.

scientific article

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

scientific article published on 31 March 2011

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

scientific article

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

scientific article

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

scientific article

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

scientific article published on 23 November 2016

Simulated annealing molecular dynamics and ligand-receptor contacts analysis for pharmacophore modeling

scientific article

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

scientific article published on 14 September 2007

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

scientific article published on 29 December 2010

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

scientific article published on 18 December 2020

Sunitinib as an anti-endometriotic agent.

scientific article published on 5 June 2013

Synthesis and antitumor activities of some new N1-(flavon-6-yl)amidrazone derivatives.

scientific article published on 24 February 2014

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

scientific article

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

scientific article published on 13 September 2013

Synthesis and structure-activity relationship exploration of some potent anti-cancer phenyl amidrazone derivatives.

scientific article published on 4 December 2017

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.

scientific article published in May 2001

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.

scientific article

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

scientific article published on 11 January 2019

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

scientific article published on 8 March 2014

Thujone corrects cholesterol and triglyceride profiles in diabetic rat model

scientific article published on 01 July 2011

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

scientific article published on 15 March 2017

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

scientific article published on 23 January 2013

List of works by Mutasem O. Taha

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.

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

Berberine potently inhibits protein tyrosine phosphatase 1B: investigation by docking simulation and experimental validation

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

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

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

Combining ligand-based pharmacophore modeling, quantitative structure-activity relationship analysis and in silico screening for the discovery of new potent hormone sensitive lipase inhibitors.

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

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

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

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

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

Degradability of chitosan micro/nanoparticles for pulmonary drug delivery

Design and Synthesis of New Sulfonamides-Based Flt3 Inhibitors

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

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

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

Discovery of DPP IV inhibitors by pharmacophore modeling and QSAR analysis followed by in silico screening.

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

Discovery of Potent Bruton's Tyrosine Kinase Inhibitors Using Ligand Based Modeling.

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

Discovery of new Gyrase β inhibitors via structure based modeling

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

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

Discovery of new antifungal leads via pharmacophore modeling and QSAR analysis of fungal N-myristoyl transferase inhibitors followed by in silico screening.

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

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

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

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

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

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

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

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

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

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

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

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

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

Docking simulations and in vitro assay unveil potent inhibitory action of papaverine against protein tyrosine phosphatase 1B. ⬇️

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 ⬇️

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

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

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

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

Elaborate ligand-based modeling coupled with multiple linear regression and k nearest neighbor QSAR analyses unveiled new nanomolar mTOR inhibitors.

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

Elaborate ligand-based modeling reveal new submicromolar Rho kinase inhibitors

Elaborate ligand-based modeling reveals new nanomolar heat shock protein 90α inhibitors.

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

Ethosuximide and phenobarbital promote wound healing via enhancing collagenization

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

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

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

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

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

In silico screening for non-nucleoside HIV-1 reverse transcriptase inhibitors using physicochemical filters and high-throughput docking followed by in vitro evaluation.

Inhibition of glycogen synthase kinase by curcumin: Investigation by simulated molecular docking and subsequent in vitro/in vivo evaluation.

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

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

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

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

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

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

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

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

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

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

Olanzapine inhibits glycogen synthase kinase-3beta: an investigation by docking simulation and experimental validation.

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

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

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

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

Pharmacophore modeling, quantitative structure-activity relationship analysis, and in silico screening reveal potent glycogen synthase kinase-3beta inhibitory activities for cimetidine, hydroxychloroquine, and gemifloxacin.

Pharmacophore modeling, quantitative structure-activity relationship analysis, and shape-complemented in silico screening allow access to novel influenza neuraminidase inhibitors

Preparation and in vitro characterization of glibenclamide-loaded alginate hexyl-amide beads: a novel drug delivery system to improve the dissolution rate.

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

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

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

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