Published Researchs

Novel secondary pyridinyl amides: Synthesis, in vitro antiproliferative screenings, and molecular docking studiesJournal of Molecular StructureComputational and organic Chemistry2024  Visit URL
Molecular recognition of tripeptides containing tryptophan by cucurbit[8]uril: A computational studyArabian Journal of ChemistryComputational Chemistry2023  Visit URL
Cucurbit[7]uril complexes with gabapentin: Effect on lactamizationJournal of Molecular liquidhost-guest chemistry2023  Visit URL
Computational study on the encapsulation of glucosamine anomers by cucurbit[6]uril and cucurbit[8]uril in aqueous solutionArabian Journal of ChemistryComputational Chemistry2023  Visit URL
Heptakis(2,6-di-O-methyl)- ?-CD as a host of olanzapine: Experimental and computational studyJournal of Molecular StructureMolecular complex and Computational Chemistry2023  Visit URL
Synthesis, biological evaluation, and computational studies of N-benzyl pyridinium– curcumin derivatives as potent AChE inhibitors with antioxidant activityJOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRYOrganic and Computational Chemistry2023  Visit URL
Binary and Ternary Complexes of Cucurbit[8]uril with Tryptophan, Phenylalanine, and Tyrosine: A Computational StudyACS OmegaSupramolecular Chemistry, Computational Chemistry2022  Visit URL
Cucurbit[7]uril recognition of glucosamine anomers in waterJournal of Molecular LiquidsComputational and Supramolecular Chemistry2022  Visit URL
Novel therapeutic heterocycles as selective cyclooxygenase-2 inhibitors and anti-cancer agents: Synthesis, in vitro bioassay screenings, and molecular docking studiesJournal of Molecular StructureComputational and Medical Chemistry2022  Visit URL
Molecular Dynamics and TD-DFT Study of the Ternary Complexes of Cucurbit[8]uril with Aromatic Amino Acids and Auxiliary LigandsChemistrySelectComputational Chemistry2022  Visit URL
A molecular dynamics study of the complexation of tryptophan, phenylalanine and tyrosine amino acids with cucurbit[7]urilJournal of Inclusion Phenomena and Macrocyclic ChemistryComputational Chemistry2021  Visit URL
Biomolecular docking, synthesis, crystal structure, and bioassay studies of 1-[4-(2-chloroethoxy)phenyl]-5-[4-(methylsulfonyl)phenyl]-1H-tetrazole and 2-(4-(5-(4-(methylsulfonyl)phenyl)-1H-tetrazol-1-yl)phenoxy)ethyl nitrateJournal of Molecular StructureOrganic and Computational Chemistry2020  Visit URL
Encapsulation of ionic liquids inside cucurbiturilsOrganic & Biomolecular ChemistryPhysical Chemistry2020  Visit URL
Elucidation of the Controlled-Release Behavior of Metoprolol Succinate from Directly Compressed Xanthan Gum/Chitosan Polymers: Computational and Experimental StudiesACS Biomaterials Science & EngineeringPhysical and Computational Chemistry2020  Visit URL
Cucurbit[7]uril Inclusion Complexes with Benzimidazole Derivatives: A Computational StudyJournal of Solution ChemistrySupramolecular Chemistry2018  Visit URL
Unexpected formation of 1-[4-chloromethylphenyl]-5-[4-(methylsulfonyl)benzyl]-1H-tetrazole and 1-[4-chloromethylphenyl]-5-[4-(aminosulfonyl)phenyl]-1H-tetrazole: Crystal structure, bioassay screening and molecular docking studiesJournal of Molecular StructureMolecular Docking, Organic Chemistry2018  Visit URL
Selective colorimetric molecular probe for cyanide ion detection in aqueous solutionuropean Journal of ChemistryPhysical Chemistry2018  Visit URL
Effect of Protonation State and N-Acetylation of Chitosan on Its Interaction with Xanthan Gum: A Molecular Dynamics Simulation StudyMarine DrugsComputational Chemistry2017  Visit URL
Effect of pH and ?-, ?- and ?-cyclodextrin on the spectral properties of etoricoxib: spectroscopic and molecular dynamics studyJournal of Inclusion Phenomena and Macrocyclic ChemistrySupramolecular Chemistry2017  Visit URL
Synthesis and crystal structure of N-[(dimethylamino)methylidene]-4-[1-(4-nitrophenyl)-1H-tetrazol-5-yl]-benzenesulfonamide: Molecular docking and bioassay studies as cyclooxygenase-2 inhibitorJournal of Molecular StructureComputational and Organic Chemistry 2016  Visit URL
Structure–activity relationship of novel series of 1,5-disubstituted tetrazoles as cyclooxygenase-2 inhibitors: Design, synthesis, bioassay screening and molecular docking studiesBioorganic & Medicinal Chemistry LettersComputational and Organic Chemistry 2016  Visit URL
Molecular dynamics simulation study of the structural features and inclusion capacities of cucurbit[6]uril derivatives in aqueous solutionsSupramolecular ChemistryComputational Chemistry2015  Visit URL
Crystal, Molecular Structure and DFT Study of 2,6,7-Trimethyl-3-p-tolylquinoxaline and 2-(4-Methoxyphenyl)-3,6,7-trimethylquinoxalineJournal of Chemical CrystallographyComputational and Organic Chemistry 2015  Visit URL
Docking studies and the crystal structure of two tetrazole derivatives: 5-(4-chlorophenyl)-1-{4-(methylsulfonyl)phenyl}-1H-tetrazole and 4-{5-(4-methoxyphenyl)-1H-tetrazol-1-yl}benzenesulfonamideJournal of Molecular StructureComputational and Organic Chemistry 2015  Visit URL
Molecular Dynamics of Nor-Seco-Cucurbit[10]uril ComplexesJournal of Inclusion Phenomena and Macrocyclic ChemistrySupramolecular Chemistry-Computational Chemistry2015  Visit URL
Molecular dynamics simulation of a cucurbituril based molecular switch triggered by pH changesComputational and Theoretical ChemistryComputational Chemistry 2015  Visit URL
Molecular Structure and Density Functional Theory Calculations of 3-(3-Nitrothien-2-yl)indole: Structural and Vibrational Analysis, Journal of Chemical CrystallographyJournal of Chemical CrystallographyComputational Chemistry 2014  Visit URL
Water Dynamics in Water/DMSO Binary MixturesJournal of Physical Chemistry BPhysical Chemistry2012  Visit URL
X-Ray Structure and DFT Study of neutral Mixed Phosphine Azoimine complexes of RutheniumPolyhedronComputational Chemistry2011  Visit URL
Examining the potency of suggested inhibitors for the phosphatase activity of the human soluble epoxide hydrolase by molecular dynamics simulations dynamics simulations Journal of Molecular Structure: THEOCHEM Supramolecular Chemistry-Computational Chemistry2010  Visit URL
The role of drug hydrophobicity in Beta-cyclodextrin complexesJ. of Molecular LiquidsSupramolecular Chemistry2010  Visit URL
Derivatization of 2-chlorophenol with 4-amino-anti-pyrine: A novel method for improving the selectivity of molecularly imprinted solid phase extraction of 2-chlorophenol from waterTalanta Analytical and Supramolecular Chemistry 2010  Visit URL
Molecular Dynamics of Methyl Viologen-Cucurbit[n]uril Complexes in Aqueous Solution, J. of Chemical Theory and ComputationsJ. of Chemical Theory and ComputationsSupramolecular Chemistry-Computational Chemistry2010  Visit URL
Novel inclusion complex of ibuprofen tromethamine with cyclodextrinJournal of Pharmaceutical and Biomedical AnalysisSupramolecular Chemistry 2009  Visit URL
complexation of n-methyl-4-(pmethyl benzoyl)- pyridinium methyl cation and its neutral analogue by cucurbit[7]uril and ?-cyclodextrinJournal of Inclusion Phenomena & Macrocyclic ChemistrySupramolecular Chemistry-Computational Chemistry2009  Visit URL
Free energy perturbation and MM/PBSA studies on inclusion complexes of some structurally related compounds with ?-cyclodextrinSupramolecular Chemistry Computational Chemistry2009  Visit URL
Compressibility and compactibility studies of chitosan, xanthan gum and their mixtures,Journal of Material SciencePharmaceutical Chemistry 2009  Visit URL
Dipyridamole/-cyclodextrin complex: buffer species effect on stability constants, thermodynamics, and guest-host interactions probed by -NMR and molecular modeling studiesJournal of Inclusion Phenomena & Macrocyclic ChemistrySupramolecular Chemistry 2009  Visit URL
Synthesis, characterization of ruthenium(ii) azoimine-diphosphine mixed-ligand complexesPolyhedronInorganic2008  Visit URL
Comparative study of the inclusion complexation of pizotifen and ketotifen with native and hydroxypropyl ?-cyclodextrinsJournal of Solution ChemistryPhysical chemistry2008  Visit URL
A novel superdisintegrating agent made from physically modified chitosan with silicon dioxideDrug Development & Industrial PharmacyPhysical Pharmacy2008  Visit URL
Effect of solution pH, ionic strength, and temperature on adsorption behavior of reactive dyes on activated carbonDyes and pigmentsPhysical Chemistry, Surface Chemistry2008  Visit URL
Molecular dynamics simulations and mm-pbsa calculations of the cyclodextrin inclusion complexes with 1-alkanols, para substituted phenols and substituted imidazolesJournal of Molecular Structure (THEOCHEM)Computational Chemistry2008  Visit URL
Syntheses, crystallography and spectroelectrochemical studies of ruthenium azomethine complexesPolyhedronComputaional Chemistry-Inorganic2007  Visit URL
Changes in conformational structure, microscopic and macroscopic pkas of meloxicam on complexation with natural and modified cyclodextrinsPharmaziePhysical Chemistry2007  Visit URL
Adsorption behavior of anionic reactive dyes on h-type activated carbon: competitive adsorption and desorption studiesSeparation Science and TechnologyPhysical Chemistry-Surface Chemistry2007  Visit URL
Comparison of estimates of free energy for binding of mono- and di-substituted benzenes with ?-cyclodextrin obtained by single-step perturbation and thermodynamic integrationJournal of Inclusion Phenomena & Macrocyclic ChemistryPhysical Chemistry2007  Visit URL
Inclusion complexation of loratadine with natural and modified cyclodextrins: phase solubility and thermodynamic studiesJournal of Solution ChemistryPhysical Chemistry2007  Visit URL
Adsorption of zn(ii), pb(ii), and co(ii) using natural sorbents: equilibrium and kinetic studiesWater researchPhysical Chemistry-Surface Chemistry2006  Visit URL
Effect of polymeric additives on thermal degradation of para subsituted polystyrenes in solution,polymer degradation and stabilityPolymer-Physical Chemistry2006  Visit URL
Inclusion complexation of itraconazole with ?- and 2-hydroxypropyl-?-cyclodextrins in aqueous solutionsRussian Journal of Physical ChemistryPhysical Chemistry2006  Visit URL
Host-guest interactions of risperidone with natural and modified cyclodextrin: phase solubility, thermodynamics and molecular modeling studiesJournal of Inclusion Phenomena & Macrocyclic Chemistry Physical Chemistry2005  Visit URL
Effect of surface area, micropores, secondary micropores and mesopores volumes of activated carbons on reactive dyes adsorption from solutionSeparation Science and TechnologyPhysical Chemistry-Surface Chemistry2004  Visit URL
Interactions of Some Organic Compounds with ?-, ?- and ?-Cyclodextrins. A Molecular Mechanics StudyAsian Journal of ChemistryPhysical Chemistry2004  Visit URL
Molecular mechanics calculations of inclusion complexes of phenol and benzoic acid with ?-cyclodextrin using mm and amber force fieldsOriental Journal ChemistryComputational Chemistry2003  Visit URL
Adsorption of Anionic Reactive Dyes from Solution by Activated Carbon: Effect of Solution pHAsian Journal ChemistryPhysical Chemistry-Surface Chemistry2003  Visit URL