H. Abdallah

发表

A proline mimetic for enantioselective aldol reaction: a quantum chemical study of a catalytic reaction with a sterically hindered l-prolinamide derivative†

A. Petrov, O. Gadzhiev, Luis Arturo García de la Rosa, 2012 .

Phenolic components and assessment of biological properties of Tchihatchewia isatidea Boiss. extracts: Docking and functional approaches for designing novel products.

A. Mollica, G. Zengin, M. Mahomoodally, 2018, Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association.

Stereoselectivity and Regioselectivity of the Cycloaddition Dimerization of allyl 3-(2-pyridyl) acrylate and allyl 3-(2-pyrryl) acrylate: DFT Calculations

P. Ramasami, H. Abdallah, H. M. Salim, 2018, IOP Conference Series: Materials Science and Engineering.

Novel germanetellones: XYGe=Te (X, Y = H, F, Cl, Br, I and CN) - structures and energetics. Comparison with the first synthetic successes.

Naziah B. Jaufeerally, H. Schaefer, P. Ramasami, 2014, Dalton transactions.

Bruguiera gymnorhiza (L.) Lam. at the Forefront of Pharma to Confront Zika Virus and Microbial Infections—An In Vitro and In Silico Perspective

P. Desprès, M. Gallo, G. Zengin, 2021, Molecules.

Unveiling the structural and electronic properties of the neutral and anionic gallium sulfide clusters

P. Ramasami, H. Abdallah, E. Archibong, 2013, Structural Chemistry.

Assessment of theoretical methods for the study of hydrogen abstraction kinetics of global warming gas species during their degradation and byproduct formation (IUPAC Technical Report)

H. Schaefer, Z. Shuai, P. Blowers, 2013 .

Cytotoxicity and Antimycobacterial Properties of Pyrrolo[1,2-a]quinoline Derivatives: Molecular Target Identification and Molecular Docking Studies

K. N. Venugopala, Bandar E Aldhubiab, M. Attimarad, 2020, Antibiotics.

Diffusional behavior and guest conformational analysis of hexadecane-1,16-diol and hexadecane in urea crystal model via molecular dynamics simulation approach

H. Abdallah, Hasmerya Maarof, Siti Fatimah Zaharah Mustafa, 2016, Journal of Molecular Modeling.

Chemical variability, pharmacological potential, multivariate and molecular docking analyses of essential oils obtained from four medicinal plants

G. Zengin, M. Mahomoodally, K. I. Sinan, 2020 .

Journey through the potential energy surfaces for the isomerization and decomposition reactions of the telluroformaldehyde analogues: H2A═Te and HFA═Te (A = C, Si, and Ge).

Naziah B. Jaufeerally, H. Schaefer, P. Ramasami, 2013, The journal of physical chemistry. A.

DFT and Kinetic Evaluation of Chloromethane Removal Using Cost-Effective Activated Carbon

T. Saleh, A. Al‐Saadi, K. Alhooshani, 2020 .

Lotus aegaeus (Gris.) Boiss and Iberis sempervirens L.: Chemical fingerprints, antioxidant potential, and inhibition activities and docking on key enzymes linked to global health problems

A. Mollica, A. Atanasov, G. Zengin, 2018, Industrial Crops and Products.

Dapsone is not a Pharmacodynamic Lead Compound for its Aryl Derivatives.

H. Abdallah, T. Scior, S. Laufer, 2020, Current Computer - Aided Drug Design.

Insights into the mechanism and regioselectivity of the [3 + 2] cycloaddition reactions of cyclic nitrone to nitrile functions with a molecular electron density theory perspective

H. Abdallah, N. Acharjee, H. Mohammad-Salim, 2021, Theoretical Chemistry Accounts.

A molecular electron density theory study for [3 + 2] cycloaddition reactions of 1‐pyrroline ‐1‐oxide with disubstituted acetylenes leading to bicyclic 4‐isoxazolines

L. Domingo, H. Abdallah, N. Acharjee, 2020 .

Germylenes: structures, electron affinities, and singlet-triplet gaps of the conventional XGeCY(3) (X = H, F, Cl, Br, and I; Y = F and Cl) species and the unexpected cyclic XGeCY(3) (Y = Br and I) systems.

H. Schaefer, Ashwini Bundhun, P. Ramasami, 2010, The journal of physical chemistry. A.

Chimeric design, synthesis, and biological assays of a new nonpeptide insulin-mimetic vanadium compound to inhibit protein tyrosine phosphatase 1B

H. Abdallah, T. Scior, Q. Do, 2010, Drug design, development and therapy.

First principles gas phase study of the structures, energetics and spectroscopic parameters of aluminium antimonide, AlxSby (x + y = 3, 5), clusters

P. Ramasami, H. Abdallah, E. Archibong, 2013 .

Dicyanogermylenes: a tale of isomers and interconversions.

H. Schaefer, P. Gaspar, Ashwini Bundhun, 2012, Inorganic chemistry.

Synthesis, QSAR Model Study and Antimicrobial Evaluation of Esters and Thioester Derivatives of Isonicotinic Acid on the Different Strains of Mycobacterium Tuberculosis

H. Abdallah, A. Opoku, R. Rojas, 2016 .

A comprehensive phytochemical, biological, toxicological and molecular docking evaluation of Suaeda fruticosa (L.) Forssk.: An edible halophyte medicinal plant.

N. Ahemad, M. Sarfraz, H. Abdallah, 2021, Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association.

Sterically modulated binuclear bis-α-diimine Pd(II) complexes: Synthesis, characterization, DFT studies and catalytic behavior towards ethylene oligomerization

H. Abdallah, V. Revankar, Srinivasa Budagumpi, 2014 .

Theoretical study of the structural, spectroscopic and energetic properties of difluoro(germylthio)phosphine and difluoro(germylseleno)phosphine in the gas phase

P. Ramasami, H. Abdallah, L. Rhyman, 2010 .

Internal Rotation of 2-, 3- and 4-Pyridine Carboxaldehydes and Their Chalcogen Analogues (S and Se) in the Gas and Solution Phases: A Theoretical Investigation

Y. Umar, H. Fun, P. Ramasami, 2016, Journal of Solution Chemistry.

Rotational barrier, energy difference and thermodynamic parameters of 2-furoylfluoride, its sulfur and selenium analogues in the gas and solution phases: A theoretical study

P. Ramasami, H. Abdallah, 2009 .

Contrastive studies of potential energy functions of some diatomic molecules

H. Abdallah, H. Abdullah, 2016 .

Antioxidant and Neuroprotective Effects Induced by Cannabidiol and Cannabigerol in Rat CTX-TNA2 Astrocytes and Isolated Cortexes

G. Zengin, A. Cataldi, M. Rapino, 2020, International journal of molecular sciences.

The 1,3-dipolar cycloaddition of 1H-pyridinium-3-olate and 1-methylpyridinium-3-olate with methyl acrylate: a density functional theory study

L. Domingo, P. Ramasami, H. Abdallah, 2010 .

Sterically modulated palladium(II)−N-heterocyclic carbene complexes for the catalytic oxidation of olefins: Synthesis, crystal structure, characterization and DFT studies

Norbani Abdullah, H. Abdallah, Srinivasa Budagumpi, 2014 .

Hypocholesterolaemic and antioxidant properties of Olea europaea L. leaves from Chlef province, Algeria using in vitro, in vivo and in silico approaches.

H. Abdallah, F. Mahomoodally, R. Allem, 2019, Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association.

Rhizophora mucronata Lam., a halophyte from Mauritius Island, inhibits the entry of Zika virus in human cells (A549)- an in vitro and in silico analysis.

P. Desprès, G. Zengin, M. Mahomoodally, 2023, Journal of biomolecular structure & dynamics.

Towards the Pharmacological Validation and Phytochemical Profiling of the Decoction and Maceration of Bruguiera gymnorhiza (L.) Lam.—A Traditionally Used Medicinal Halophyte

J. Jekő,, G. Zengin, M. Mahomoodally, 2022, Molecules.

Identification of Chemical Profiles and Biological Properties of Rhizophora racemosa G. Mey. Extracts Obtained by Different Methods and Solvents

J. Jekő,, G. Zengin, M. Mahomoodally, 2020, Antioxidants.

Assessment of the Pharmacological Properties and Phytochemical Profile of Bruguiera gymnorhiza (L.) Lam Using In Vitro Studies, In Silico Docking, and Multivariate Analysis

J. Jekő,, G. Zengin, R. Jeewon, 2020, Biomolecules.

In vitro enzyme inhibition, antibacterial, UHPLC-MS chemical profiling and in silico studies of Indigofera argentea Burm. f. for potential biopharmaceutical application

S. Khan, N. Ahemad, A. Arshad, 2020 .

Mechanistic study of the [2+2] cycloaddition reaction of cyclohexenone and its derivatives with vinyl acetate

M. Prakash, M. Hochlaf, K. R. Maiyelvaganan, 2020, Theoretical Chemistry Accounts.

Synthesis, characterization, density function theory and catalytic performances of palladium(II)-N-heterocyclic carbene complexes derived from benzimidazol-2-ylidenes

Norbani Abdullah, H. Abdallah, Srinivasa Budagumpi, 2015 .

2,6-Diaminopyridinium 2-carboxybenzoate

Mohammad T. M. Al-Dajani, H. Fun, Nornisah Mohamed, 2010, Acta crystallographica. Section E, Structure reports online.

Quantitative structure–activity relationship model for prediction study of corrosion inhibition efficiency using two‐stage sparse multiple linear regression

Hasmerya Maarof, Muhammad Hisyam Lee, Muhammad Hisyam Lee, 2016 .

Experimental and quantum chemical calculations on corrosion inhibition of mild steel by two furan derivatives

M. Aziz, H. Abdallah, A. M. Al-Fakih, 2016 .

Dinuclear gold (I)‐di‐ N ‐heterocyclic carbene complexes: syntheses, structure, density functional theory calculation and photoluminescence study

Mohd. R. Razali, H. Abdallah, S. Zhan, 2020, Applied Organometallic Chemistry.

RP-UHPLC-MS Chemical Profiling, Biological and In Silico Docking Studies to Unravel the Therapeutic Potential of Heliotropium crispum Desf. as a Novel Source of Neuroprotective Bioactive Compounds

G. Zengin, N. Ahemad, A. Arshad, 2021, Biomolecules.

DFT STUDY OF THE PHOTOCHEMICAL DIMERIZATION OF 3-HETEROARYL(FURYL, THIOPHYL, SELENOPHYL AND TELLUROPHYL)-ACRYLATES

H. Abdallah, Rezan Jalal, Резан Джалал, 2021 .

Nitrile functionalized silver(I) N-heterocyclic carbene complexes: DFT calculations and antitumor studies

Mohd. R. Razali, H. Abdallah, A. M. A. Abdul Majid, 2018, Transition Metal Chemistry.

New N -heterocyclic carbene mercury(II) complexes: Close mercury–arene interaction

T. S. Guan, H. Abdallah, Rosenani A. Haque, 2011 .

Erratum to: Telluroformaldehyde and its derivatives: structures, ionization potentials, electron affinities and singlet–triplet gaps of the X2CTe and XYCTe (X,Y = H, F, Cl, Br, I and CN) species

Naziah B. Jaufeerally, P. Ramasami, H. Abdallah, 2012, Theoretical Chemistry Accounts.

Host-guest molecular encapsulation of cucurbit[7]uril with dillapiole congeners using docking simulation and density functional theory approaches

H. Abdallah, H. Mohamad, Hasmerya Maarof, 2021, Structural Chemistry.

1,3-Dipolar cycloaddition of 1H-pyrazinium-3-olate and N1- and C-methyl substituted pyrazinium-3-olates with methyl acrylate: a density functional theory study

L. Domingo, P. Ramasami, H. Abdallah, 2011 .

Diffusional and conformational behaviour of hexadecane-1,16-diol and hexadecane enclathration in three-dimensional nanoporous urea inclusion compound model systems via molecular dynamics simulation

H. Abdallah, Hasmerya Maarof, Siti Fatimah Zaharah Mustafa, 2020, Computational Materials Science.

Behavioral pattern exploration of single guest, hexadecane-1,16-diol and hexadecane in urea inclusion compounds via molecular dynamics simulation

A. Irfan, H. Abdallah, M. Naser, 2016 .

First Principle Study of the Anti- and Syn-Conformers of Thiophene-2-Carbonyl Fluoride and Selenophene-2-Carbonyl Fluoride in the Gas and Solution Phases

Ponnadurai Ramasami, Hassan H. Abdallah, P. Ramasami, 2009, ICCS.

Theoretical investigation of the long-lived metastable AlO2+ dication in gas phase

M. Hochlaf, H. Abdallah, N. Jaidane, 2016 .

Theoretical Study of the Gauche and Trans Conformers of SiH2X–CH2X, SiH2F–CH2Y and SiH2Y–CH2F (X = F, Cl, Br, I and Y = Cl, Br, I) in the Gas and Solution Phases

P. Ramasami, H. Abdallah, Benazir Bhonoah, 2011 .

Inhibition performance of mild steel corrosion in acidic media using 2-thiophene acetyl chloride

M. Aziz, H. Abdallah, Hasmerya Maarof, 2018 .

Computational Evaluation of the Effect of Structural Parameters of 3-Flouro Thiophene and 3-thiophene Malonic Acid on Corrosion Inhibition Efficiency of Mild Steel in Acidic Media

M. Aziz, H. Abdallah, Hasmerya Maarof, 2015 .

Are vanadium complexes druggable against the main protease Mpro of SARS-CoV-2? – A computational approach

D. Rehder, H. Abdallah, T. Scior, 2021, Inorganica Chimica Acta.

Combination of phenolic profiles, pharmacological properties and in silico studies to provide new insights on Silene salsuginea from Turkey

Gokhan Zengin, Adriano Mollica, Mohamad Fawzi Mahomoodally, 2018, Comput. Biol. Chem..

Chemical Composition and Pharmacological Evaluation and of Toddalia asiatica (Rutaceae) Extracts and Essential Oil by in Vitro and in Silico Approaches.

G. Zengin, M. Mahomoodally, H. Abdallah, 2021, Chemistry & biodiversity.

GC/MS Profiling, In Vitro and In Silico Pharmacological Screening and Principal Component Analysis of Essential Oils from Three Exotic and Two Endemic Plants from Mauritius

G. Zengin, H. Abdallah, M. Fawzi Mahomoodally, 2021, Chemistry & biodiversity.

Phytochemical profiling, in vitro biological properties and in silico studies on Caragana ambigua stocks (Fabaceae): A comprehensive approach

G. Zengin, S. Khan, H. Abdallah, 2019, Industrial Crops and Products.

Theoretical investigation into the likely reaction mechanisms of benzyl alcohol with dimethyl carbonate over a faujasite zeolite catalyst

H. Wahab, H. Abdallah, Shu Xian Chong, 2012 .

In vitro Acetylcholinesterase inhibitory activity of polyphenolic compounds identified from Matricaria recutita

L. S. Chua, H. Abdallah, S. W. Qader, 2020, Journal of Theoretical and Computational Chemistry.

Identifying isomers of peroxy radicals in the gas phase: 1-C3H7O2vs. 2-C3H7O2.

M. Hochlaf, Weijun Zhang, J. Loison, 2020, Chemical communications.

In silico exploration of bioactive phytochemicals against neurodegenerative diseases via inhibition of cholinesterases.

H. Abdallah, F. Mahomoodally, Yansheng Zhang, 2020, Current pharmaceutical design.

Theoretical study of the structures, conformations, and spectroscopic properties of 2-Formylthiophene-N-acetylhydrazone and 2-thiophenecarboxaldehyde- 2-thienylhydrazone

P. Ramasami, H. Abdallah, L. Rhyman, 2009 .

Insights into the mechanism and regiochemistry of the 1,3-dipolar cycloaddition reaction between benzaldehyde and diazomethane

M. Hilali, M. Hochlaf, H. E. A. E. Abdallaoui, 2020, Theoretical Chemistry Accounts.

Anti-Tubercular Properties of 4-Amino-5-(4-Fluoro-3- Phenoxyphenyl)-4H-1,2,4-Triazole-3-Thiol and Its Schiff Bases: Computational Input and Molecular Dynamics

M. Mahomoodally, H. Abdallah, D. Chopra, 2020, Antibiotics.

Quantum mechanical study of the structure and spectroscopic characterisation of the novel trisilylsilylcyanide and trigermylgermylcyanide in the gas phase

P. Ramasami, H. Abdallah, L. Rhyman, 2010 .

Mechanism and Thermodynamic Parameters of Paternὸ-Büchi Reaction of Benzene and Furan: DFT Study

P. Ramasami, H. Abdallah, H. M. Salim, 2018, 2018 International Conference on Advanced Science and Engineering (ICOASE).

Theoretical Calculations for the Acidity of Cyanopolyynes HC2n+1N (n = 0–5) in Gas and Aqueous Phases Using Ab initio Methods

H. Abdallah, 2019, ARO-THE SCIENTIFIC JOURNAL OF KOYA UNIVERSITY.

Characterization of the simplest sulfenyl thiocyanate: isomers, spectroscopy and implications of astrophysical and biological relevance.

M. Hochlaf, H. Abdallah, R. Linguerri, 2020, Physical chemistry chemical physics : PCCP.

Biopharmaceutical potential, chemical profile and in silico study of the seagrass– Syringodium isoetifolium (Asch.) Dandy

J. Jekő,, G. Zengin, M. Mahomoodally, 2019 .

Structural properties and vibrational spectra of 2-formyloxazole and its 2-thioformyl and 2-selenoformyl derivatives

A. Al‐Saadi, H. Abdallah, Shu Xian Chong, 2011 .

Quantum mechanical study of the syn-anti isomerisation of 2-tellurophenecarboaldehyde: vive la différence.

P. Ramasami, H. Abdallah, L. Rhyman, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Theoretical and experimental studies of corrosion inhibition of thiohene-2-ethylamine on mild steel in acid media

M. N. Hasan, M. Aziz, H. Abdallah, 2015 .

Diaminobenzene schiff base, a novel class of DNA minor groove binder.

H. Wahab, M. Helal, H. Abdallah, 2012, International journal of oncology.

Computational, crystallographic studies, cytotoxicity and anti-tubercular activity of substituted 7-methoxy-indolizine analogues

M. Attimarad, B. Odhav, H. Abdallah, 2019, PloS one.

Secondary Metabolites Profiling, Biological Activities and Computational Studies of Abutilon figarianum Webb (Malvaceae)

G. Zengin, M. Locatelli, M. Mahomoodally, 2020, Processes.

Theoretical investigation of the derivatives of favipiravir (T-705) as potential drugs for Ebola virus

Y. Choong, P. Ramasami, H. Abdallah, 2018, Physical Sciences Reviews.

Seven compounds from tumeric essential oil inhibits three key proteins involved in SARS-CoV-2 cell entry and replication in silico

M. Gallo, G. Zengin, M. Mahomoodally, 2021, Journal of Computational Biophysics and Chemistry.

Electronic structures of Al4As, Ga4As and their anions

P. Ramasami, H. Abdallah, E. Archibong, 2009 .

Chemical Reaction of Soybean Flavonoids with DNA: A Computational Study Using the Implicit Solvent Model

H. Wahab, V. Lee, H. Abdallah, 2012, International journal of molecular sciences.

Geometries and electronic structures of Ga2Se3, Ga3Se2 and their anions. Theoretical insights

P. Ramasami, H. Abdallah, E. Archibong, 2011 .

Ga2Te3 and Ga3Te2 clusters: understanding their structures, vibrational and energetic features using DFT and ab initio methods

P. Ramasami, H. Abdallah, E. Archibong, 2012, Journal of Materials Science.

Nickel electrodeposition from deep eutectic solvents containing copper ions at a high temperature

H. Abdallah, M. I. Awad, Khozan A. Haji, 2023, Journal of Molecular Liquids.

Experimental and theoretical studies of the inhibition performance of two furan derivatives on mild steel corrosion in acidic medium

M. Aziz, H. Abdallah, A. M. Al-Fakih, 2018, Materials and Corrosion.

Theoretical Study of the [4+2] Cycloaddition Reaction of Trifluoroethylene with Five-membered Chalcogens Heterocyclic Compounds

H. Abdallah, H. Mohammad-Salim, Haydar A. Mohammad-Salim, 2019 .

Investigation of interaction hydrogen sulfide with (5,0) and (5,5) single-wall carbon nanotubes by density functional theory method

M. Gholamian, H. Abdallah, M. Oftadeh, 2013, International Nano Letters.

Density functional theory and ab initio studies of the structure and energetics of digallium tetraoxide, Ga2O4, in the gas phase.

P. Ramasami, H. Abdallah, Neelum Seeburrun, 2012, The journal of physical chemistry. A.

Revisiting the tellurium clusters (Ten; n = 2–8) using ab initio methods

H. Abdallah, 2020 .

Herb-drug interactions and toxicity: Underscoring potential mechanisms and forecasting clinically relevant interactions induced by common phytoconstituents via data mining and computational approaches.

M. Mahomoodally, H. Abdallah, S. Suroowan, 2021, Food and Chemical Toxicology.

1,3-Bis[(3-allylimidazol-3-ium-1-yl)methyl]benzene bis(hexafluoridophosphate)

H. Fun, H. Abdallah, C. Quah, 2010, Acta crystallographica. Section E, Structure reports online.

Phenolic contents, chemical profiling, in silico and in vitro anti-inflammatory and anticancer properties of Alnus nitida (Spach) Endl

M. Mahomoodally, Shabana I. Khan, H. Abdallah, 2021 .

Theoretical Study for the [2+2] Cycloaddition Reaction Mechanism of Ketenes and their Derivatives

H. Abdallah, Mohammad Salim, H. A., 2019, Oriental Journal Of Chemistry.

QSAR Applied to 4-Chloro-3-Formylcoumarin Derivatives Targeting Human Thymidine Phosphorylase

H. Abdallah, T. Scior, C. Alexander, 2022, Clinical Complementary Medicine and Pharmacology.

Host-Guest Inclusion Complexes between Amlodipine Enantiomers in the Biphasic Recognition Chiral Extraction System using Tartaric Acid and β-Cyclodextrin Derivatives as Positive Confirmation by using their Enantioselective Extraction

Hassan S. Shaibah, H. Abdallah, H. Halim, 2015, Scientia pharmaceutica.

2,6-Di(pyrrolidin-1-yl)pyridinium chloride monohydrate

Jia Hao Goh, Mohammad T. M. Al-Dajani, H. Fun, 2010, Acta crystallographica. Section E, Structure reports online.

QM/MM Study for the Reaction Mechanisms of Benzyl Alcohol with Dimethyl Carbonate over a Faujasite Zeolite Catalyst

H. Wahab, H. Abdallah, Shu Xian Chong, 2014 .

Diaquabis(hydrogen tartrato)copper(II) dihydrate

Mohammad T. M. Al-Dajani, H. Fun, Nornisah Mohamed, 2010, Acta crystallographica. Section E, Structure reports online.

The Theoretical Study on the Mechanism of [3+2] Cycloaddition Reactions between α,β-unsaturated Selenoaldehyde with Nitrone and with Nitrile Oxide

H. Abdallah, M. Oftadeh, H. Mohammad-Salim, 2020 .

A molecular electron density theory study for [3+2] cycloaddition reactions of N-benzylcyclohexylnitrone with methyl-3-butenoate

H. Abdallah, L. Jamil, A. Zeroual, 2021 .

High Dimensional QSAR Study of Mild Steel Corrosion Inhibition in acidic medium by Furan Derivatives

Zakariya Yahya Algamal, Hasmerya Maarof, Hassan H. Abdallah, 2015, International Journal of Electrochemical Science.

DFT and Kinetic Evaluation of Chloromethane Removal Using Cost-Effective Activated Carbon

T. Saleh, A. Al‐Saadi, K. Alhooshani, 2020, Arabian Journal for Science and Engineering.

Theoretical study of the adsorption energy of some linear saturated hydrocarbons on SWCNT: DFT calculations

H. Abdallah, H. Abdullah, 2017 .

Unveiling the phytochemical and pharmacological potential of Mimusops maxima (Poiret) Vaughan-an endemic plant with potential therapeutic effects

G. Zengin, E. Llorent-Martínez, M. Mahomoodally, 2023, Process Biochemistry.

Theoretical Study of Diels-Alder Reaction of But-3-en-2-one with Hexa-1,2,4-triene: A Density Functional Theory Study

H. Abdallah, Rezan J. Hassan, 2020, ARO-THE SCIENTIFIC JOURNAL OF KOYA UNIVERSITY.