M
Mutasem O. Taha
Researcher at University of Jordan
Publications - 167
Citations - 3542
Mutasem O. Taha is an academic researcher from University of Jordan. The author has contributed to research in topics: Pharmacophore & Quantitative structure–activity relationship. The author has an hindex of 30, co-authored 152 publications receiving 2806 citations. Previous affiliations of Mutasem O. Taha include Loughborough University & Applied Science Private University.
Papers
More filters
Journal Article
Pharmacophore and QSAR Modeling of Endothelial Nitric Oxide Synthase Inhibitors and Subsequent Validation and In Silico Search for New Hits
TL;DR: The pharmacophoric model and associated QSAR equation is employed to screen the national cancer institute list of compounds (NCI) and Comparisons with the binding site of eNOS and receiver-operating characteristic (ROC) curves analysis established the validity of thisQSAR-selected pharmacophore model.
Journal ArticleDOI
Discovery of new Cdc2-like kinase 4 (CLK4) inhibitors via pharmacophore exploration combined with flexible docking-based ligand/receptor contact fingerprints and machine learning
TL;DR: This study combined extensive ligand-based pharmacophore exploration, ligand–receptor contact fingerprints generated by flexible docking, physicochemical descriptors and machine learning-quantitative structure–activity relationship (ML-QSAR) analysis to investigate the pharmacophoric/binding requirements for potent CLK4 antagonists.
Journal ArticleDOI
Discovery of new potent lysine specific histone demythelase-1 inhibitors (LSD-1) using structure based and ligand based molecular modelling and machine learning
TL;DR: In this paper , the authors employed various Computer Aided Drug Design (CADD) approaches including pharmacophore modelling and machine learning to screen the National Cancer Institute (NCI) database.
Journal ArticleDOI
Oleuropein potently inhibits mammalian target of rapamycin: possible involvement of tandem anomeric hyperconjugation–Michael reaction
TL;DR: Lineweaver–Burk plot showed that oleuropein inhibits mTOR via mixed competitive/noncompetitive mechanism suggesting that inhibition is mediated, at least partially, by covalent bonding to mTOR binding pocket.
Journal Article
Haloperidol inhibits Memapsin 2: innovation by docking simulation and in vitro assay.
TL;DR: An initial molecular docking was performed as a preliminary in-silico screening test followed by in vitro enzyme inhibition assay and haloperidol was found to fit readily in Memapsin binding site with IC(50)value 250mM.