L. H. Al-Wahaibi

发表

1,3,4-Oxadiazole N-Mannich Bases: Synthesis, Antimicrobial, and Anti-Proliferative Activities

H. M. Hassan, A. El-Emam, L. H. Al-Wahaibi, 2021, Molecules.

Adamantane-linked isothiourea derivatives suppress the growth of experimental hepatocellular carcinoma via inhibition of TLR4-MyD88-NF-κB signaling.

H. M. Hassan, A. El-Emam, George S G Shehatou, 2021, American journal of cancer research.

DFT Study on the Electronic Properties, Spectroscopic Profile, and Biological Activity of 2-Amino-5-trifluoromethyl-1,3,4-thiadiazole with Anticancer Properties

S. Parveen, M. Banerjee, L. Sinha, 2020, ACS omega.

Spectroscopic, Solvation Effects and MD Simulation of an Adamantane-Carbohydrazide Derivative, a Potential Antiviral Agent

Y. Mary, Y. Mary, H. M. Hassan, 2022, Polycyclic Aromatic Compounds.

Spectral Analysis of 3-(Adamantan-1-yl)-4-Ethyl-1-[(4-Phenylpiperazin-1-yl) Methyl]-1H-1,2,4-Triazole-5(4H)-Thione

S. Gaponenko, A. El-Emam, A. Matsukovich, 2018 .

Supramolecular Self-Assembly Mediated by Multiple Hydrogen Bonds and the Importance of C–S···N Chalcogen Bonds in N′-(Adamantan-2-ylidene)hydrazide Derivatives

S. Thamotharan, H. M. Hassan, M. Percino, 2022, ACS omega.

Synthesis and Biological Evaluation of Indole-2-Carboxamides with Potent Apoptotic Antiproliferative Activity as EGFR/CDK2 Dual Inhibitors

Yaser A. Mostafa, Ali H El-Bahrawy, L. H. Al-Wahaibi, 2022, Pharmaceuticals.

DDDT_A_249093 2335..2353

Y. Mahran, H. M. Hassan, L. H. Al-Wahaibi, 2020 .

Virtual screening and molecular dynamics simulation study of abyssomicins as potential inhibitors of COVID‐19 virus main protease and spike protein

M. Alajmi, M. Rehman, M. Abdelkader, 2022, Journal of biomolecular structure & dynamics.

Weak Noncovalent Interactions in Three Closely Related Adamantane-Linked 1,2,4-Triazole N-Mannich Bases: Insights from Energy Frameworks, Hirshfeld Surface Analysis, In Silico 11β-HSD1 Molecular Docking and ADMET Prediction

O. Blacque, S. Thamotharan, J. Joubert, 2022, Molecules.

Structural and Energetic Properties of Weak Noncovalent Interactions in Two Closely Related 3,6-Disubstituted-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Derivatives: In Vitro Cyclooxygenase Activity, Crystallography, and Computational Investigations

S. Karthikeyan, O. Blacque, S. Thamotharan, 2022, ACS omega.

Synthesis and Structure Insights of Two Novel Broad-Spectrum Antibacterial Candidates Based on

O. Blacque, Aamal A. Al-Mutairi, N. Alvarez, 2020 .

Experimental (FT-IR, Laser-Raman and NMR) and theoretical comparative study on 2-benzylsulfanyl-4-pentyl-6-(phenylsulfanyl)pyrimidine-5-carbonitrile, a potential bioactive agent

Abdul-Malek S. Al-Tamimi, H. M. Hassan, A. El-Emam, 2018 .

High performance removal and simulation studies of diuron pesticide in water on MWCNTs

I. Ali, Z. Alothman, L. H. Al-Wahaibi, 2019, Journal of Molecular Liquids.

Crystal structure of 3,5-bis(trifluoromethyl)benzyl(Z)-N-(adamantan-1-yl)morpholine-4-carbothioimidate, C24H28F6N2OS

H. Ghabbour, H. M. Hassan, A. El-Emam, 2018, Zeitschrift für Kristallographie - New Crystal Structures.

Crystal structure of 4-bromobenzyl (Z)-N′-(adamantan-1-yl)-4-phenylpiperazine-1-carbothioimidate, C28H34BrN3S

H. Ghabbour, H. M. Hassan, A. El-Emam, 2017 .

Application of Composite NanoMaterial to Determine Phenols in Wastewater by Solid Phase Micro Membrane Tip Extraction and Capillary Electrophoresis

I. Ali, Z. Alothman, L. H. Al-Wahaibi, 2019, Molecules.

Novel piperine-carboximidamide hybrids: design, synthesis, and antiproliferative activity via a multi-targeted inhibitory pathway

Yaser A. Mostafa, L. H. Al-Wahaibi, M. A. Mahmoud, 2022, Journal of enzyme inhibition and medicinal chemistry.

Synthesis and Structure Insights of Two Novel Broad-Spectrum Antibacterial Candidates Based on (E)-N′-[(Heteroaryl)methylene]adamantane-1-carbohydrazides

O. Blacque, Aamal A. Al-Mutairi, N. Alvarez, 2020, Molecules.

Invariant and Variable Supramolecular Self-Assembly in 6-Substituted Uracil Derivatives: Insights from X-ray Structures and Quantum Chemical Study

S. García‐Granda, Sailaja Bysani, S. Thamotharan, 2021 .

Design, Synthesis, and Antibacterial Screening of Some Novel Heteroaryl-Based Ciprofloxacin Derivatives as DNA Gyrase and Topoisomerase IV Inhibitors

A. A. Abdelhamid, A. A. Amer, Adel A Marzouk, 2021, Pharmaceuticals.

Crystal structures and Hirshfeld surface analysis of 2-(adamantan-1-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazole and 2-(adamantan-1-yl)-5-(4-chlorophenyl)-1,3,4-oxadiazole

O. Blacque, A. El-Emam, L. H. Al-Wahaibi, 2019, Acta crystallographica. Section E, Crystallographic communications.

Crystal structure of 5-(adamantan-1-yl)-3-[(4-trifluoromethylanilino)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione, C20H22F3N3OS

E. Tiekink, H. Ghabbour, A. El-Emam, 2022, Zeitschrift für Kristallographie - New Crystal Structures.

Molecular docking, Hirshfeld surface analysis and spectroscopic investigations of 1-(adamantan-1-yl)-3-(4-fluorophenyl)thiourea: A potential bioactive agent

H. M. Hassan, A. El-Emam, H. Gökce, 2019, Chemical Physics Letters.

Theoretical and experimental spectroscopic studies, XPS analysis, dimer interaction energies and molecular docking study of 5-(adamantan-1-yl)-N-methyl-1,3,4-thiadiazol-2-amine

F. Ucun, M. Karakaya, A. El-Emam, 2019 .

Quantitative analysis of hydrogen and chalcogen bonds in two pyrimidine-5-carbonitrile derivatives, potential DHFR inhibitors: an integrated crystallographic and theoretical study

O. Blacque, S. Thamotharan, Aamal A. Al-Mutairi, 2020, RSC advances.

Crystal structure of 6-(4-chlorophenyl)-3-(thiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]-thiadiazole, C13H7ClN4S2

H. Alrabiah, H. Ghabbour, A. El-Emam, 2016 .

Design, Synthesis, Biological Evaluation, and Computational Studies of Novel Tri-Aryl Imidazole-Benzene Sulfonamide Hybrids as Promising Selective Carbonic Anhydrase IX and XII Inhibitors

A. A. Abdelhamid, Ehab S. Taher, A. Abdelazeem, 2021, Molecules.

Synthesis, spectroscopic analyses, chemical reactivity and molecular docking study and anti-tubercular activity of pyrazine and condensed oxadiazole derivatives

Abdul-Malek S. Al-Tamimi, P. Miniyar, Y. Mary, 2018, Journal of Molecular Structure.

Synthesis of Novel 1,2,4-Triazolyl Coumarin Derivatives as Potential Anticancer Agents

D. A. Ibrahim, L. H. Al-Wahaibi, Hanaa M. A. Abu-Melha, 2018, Journal of Chemistry.

Thermodynamics, simulation and chiral recognition mechanism of two asymmetric center quinolone.

Z. Alothman, L. H. Al-Wahaibi, Hadeel Alabdulmonem, 2022, Talanta.

Structural Insights of Three 2,4-Disubstituted Dihydropyrimidine-5-carbonitriles as Potential Dihydrofolate Reductase Inhibitors

S. García‐Granda, S. Thamotharan, A. El-Emam, 2021, Molecules.

Quantitative assessment of the nature of noncovalent interactions in N-substituted-5-(adamantan-1-yl)-1,3,4-thiadiazole-2-amines: insights from crystallographic and QTAIM analysis

O. Blacque, S. Thamotharan, M. Percino, 2020, RSC advances.

Insights into the nature of weak noncovalent interactions in 3-(4-fluorophenyl)-6-(2-fluorophenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole, a potential bioactive agent: X-ray, QTAIM and molecular docking analysis

S. Thamotharan, J. Percino, A. El-Emam, 2019, Journal of Molecular Structure.

Crystal structure of 1-(adamantan-1-yl)-3-phenylthiourea, C17H22N2S

H. Ghabbour, A. El-Emam, L. H. Al-Wahaibi, 2016 .

X-ray Structures and Computational Studies of Two Bioactive 2-(Adamantane-1-carbonyl)-N-substituted Hydrazine-1-carbothioamides

O. Blacque, S. Thamotharan, H. M. Hassan, 2022, Molecules.

Enantioselective degradation of dufulin pesticide in water: Uptake, thermodynamics, and kinetics studies.

I. Ali, Z. Alothman, L. H. Al-Wahaibi, 2019, Chirality.

Design and synthesis of novel 2,3-dihydropyrazino[1,2-a]indole-1,4-dione derivatives as antiproliferative EGFR and BRAFV600E dual inhibitors.

A. Gouda, Hatem S. Farghaly, L. Trembleau, 2020, Bioorganic chemistry.

Probing vibrational activities, electronic properties, molecular docking and Hirshfeld surfaces analysis of 4-chlorophenyl ({[(1E)-3-(1H-imidazol-1-yl)-1-phenylpropylidene]amino}oxy)methanone: A promising anti-Candida agent

H. M. Hassan, A. El-Emam, M. Attia, 2018 .

Supramolecular Self-Assembly Built by Weak Hydrogen, Chalcogen, and Unorthodox Nonbonded Motifs in 4-(4-Chlorophenyl)-3-[(4-fluorobenzyl)sulfanyl]-5-(thiophen-2-yl)-4H-1,2,4-triazole, a Selective COX-2 Inhibitor: Insights from X-ray and Theoretical Studies

S. García‐Granda, S. Thamotharan, M. Percino, 2021, ACS omega.

Crystal structure, Hirshfeld surface analysis and DFT studies of 5-(adamantan-1-yl)-3-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazole, a potential 11β-HSD1 inhibitor

O. Blacque, J. Joubert, A. El-Emam, 2019, Scientific Reports.

Suppression of Cisplatin-Induced Hepatic Injury in Rats Through Alarmin High-Mobility Group Box-1 Pathway by Ganoderma lucidum: Theoretical and Experimental Study

Y. Mahran, H. M. Hassan, L. H. Al-Wahaibi, 2020, Drug design, development and therapy.

Stereomeric resolution and modeling of dl-alanine-dl-phenyl alanine dipeptide on an AmyCoat-RP column

I. Ali, Z. Alothman, L. H. Al-Wahaibi, 2020 .

Adamantane-Isothiourea Hybrid Derivatives: Synthesis, Characterization, In Vitro Antimicrobial, and In Vivo Hypoglycemic Activities

H. Ghabbour, H. M. Hassan, A. El-Emam, 2017, Molecules.

Design, Synthesis, and Antiproliferative Activity of New 5-Chloro-indole-2-carboxylate and Pyrrolo[3,4-b]indol-3-one Derivatives as Potent Inhibitors of EGFRT790M/BRAFV600E Pathways

L. H. Al-Wahaibi, M. Abdelrahman, L. Trembleau, 2023, Molecules.

Design, Synthesis, Antiproliferative Actions, and DFT Studies of New Bis–Pyrazoline Derivatives as Dual EGFR/BRAFV600E Inhibitors

A. Hayallah, L. H. Al-Wahaibi, B. Youssif, 2023, International journal of molecular sciences.

DFT Studies and Acetylcholinesterase Inhibition Capacity Analysis of an Adamantane-Isothiourea Derivative via Docking and MD Calculations

Y. Mary, Y. Mary, H. M. Hassan, 2023, Polycyclic Aromatic Compounds.

Structural Insights and Docking Analysis of Adamantane-Linked 1,2,4-Triazole Derivatives as Potential 11β-HSD1 Inhibitors

S. García‐Granda, J. Joubert, M. Macías, 2021, Molecules.

Crystal structure of 3,5-bis(trifluoromethyl)benzyl (Z)-N′-(adamantan-1-yl)-4-phenylpiperazine-1-carbothioimidate, C30H33F6N3S

E. Tiekink, H. Ghabbour, A. El-Emam, 2019, Zeitschrift für Kristallographie - New Crystal Structures.

Interplay of weak intermolecular interactions in two Schiff's bases with organic fluorine derived from 5-nitrothiophene-2-carboxaldehyde: Crystal structures, DFT calculation and in vitro evaluation of bioactivities

O. Blacque, S. Thamotharan, Aamal A. Al-Mutairi, 2020 .

Investigation of potential anti-malarial lead candidate 2-(4-fluorobenzylthio)-5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole: Insights from crystal structure, DFT, QTAIM and hybrid QM/MM binding energy analysis

Abdul-Malek S. Al-Tamimi, S. Thamotharan, N. Venkataramanan, 2019, Journal of Molecular Structure.

Theoretical investigations of two adamantane derivatives: A combined X-ray, DFT, QTAIM analysis and molecular docking

S. Thamotharan, N. Venkataramanan, H. Ghabbour, 2018 .

Synthesis, Spectroscopic Analysis, Molecular Docking, Molecular Dynamics Simulation of 5-(Adamantan-1-yl)-4-(3-Chlorophenyl)-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione, a Potential Anti-proliferative Agent

S. García‐Granda, H. Ghabbour, L. Sinha, 2023, SSRN Electronic Journal.

Probing the Effect of Halogen Substituents (Br, Cl, and F) on the Non-covalent Interactions in 1-(Adamantan-1-yl)-3-arylthiourea Derivatives: A Theoretical Study

S. Thamotharan, M. Percino, A. El-Emam, 2021, ACS omega.

One-Pot Synthesis of 1-Thia-4-azaspiro[4.4/5]alkan-3-ones via Schiff Base: Design, Synthesis, and Apoptotic Antiproliferative Properties of Dual EGFR/BRAFV600E Inhibitors

E. El-Sheref, Bahaa G. M. Youssif, L. H. Al-Wahaibi, 2023, Pharmaceuticals.

Design, Synthesis, and Biological Evaluation of Indole-2-carboxamides as Potential Multi-Target Antiproliferative Agents

L. H. Al-Wahaibi, M. Abdelrahman, B. Youssif, 2023, Pharmaceuticals.

Discovery of novel oxazole-based macrocycles as anti-coronaviral agents targeting SARS-CoV-2 main protease

Mahmoud M. Shehata, M. Ali, F. Mohamed, 2021, Bioorganic Chemistry.

Synthesis and Structure Determination of Substituted Thiazole Derivatives as EGFR/BRAFV600E Dual Inhibitors Endowed with Antiproliferative Activity

M. Nieger, Mahmoud A. A. Ibrahim, E. El-Sheref, 2023, Pharmaceuticals.

Investigation of the electronic properties of solvents (water, benzene, methanol) using IEFPCM model, spectroscopic investigation with docking and MD simulations of a thiadiazole derivative with anti-tumor activities

Y. Mary, Y. Mary, Aamal A. Al-Mutairi, 2021, Journal of Molecular Liquids.

Quinazolin-4-one/3-cyanopyridin-2-one Hybrids as Dual Inhibitors of EGFR and BRAFV600E: Design, Synthesis, and Antiproliferative Activity

Heba A. Hassan, A. Hayallah, L. H. Al-Wahaibi, 2023, Pharmaceuticals.

Structural Characterization, Spectroscopic Profile, Molecular Docking, ADMET Properties, Molecular Dynamics Simulation Studies, and Molecular Mechanics Generalized Born Surface Area Analysis of 5-(Adamantan-1-yl)-4-butyl-2,4-dihydro-3H-1,2,4-triazole-3-thione as a Potential COX Inhibitor

O. Prasad, A. El-Emam, R. Srivastava, 2024, ACS omega.

N′-[(1E)-(4–Fluorophenyl)methylidene]adamantane-1-carbohydrazide, C18H21FN2O

E. Tiekink, S. García‐Granda, A. El-Emam, 2023, Zeitschrift für Kristallographie - New Crystal Structures.

Crystal structure of 5-(adamantan-1-yl)-3-[(4-{[2-(trifluoromethyl)phenyl]-methyl}piperazin-1-yl)methyl]-1,3,4-oxadiazole-2(3H)-thione, C25H31F3N4OS

E. Tiekink, S. García‐Granda, A. El-Emam, 2023, Zeitschrift für Kristallographie - New Crystal Structures.

Crystal structure of 2-({[5-(adamantan-2-yl)-2-sulfanylidene-1,3,4-oxadiazolidin-3-yl]methyl}amino)benzonitrile, C20H22N4OS

E. Tiekink, O. Blacque, A. El-Emam, 2022, Zeitschrift für Kristallographie - New Crystal Structures.

Crystal structure of 3-(adamantan-1-yl)-4-methyl-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazole, C20H24N4O2S

E. Tiekink, S. García‐Granda, A. El-Emam, 2022, Zeitschrift für Kristallographie - New Crystal Structures.

Crystal structure of 2-(adamantan-1-yl)-5-(3,5-dinitrophenyl)-1,3,4-oxadiazole, C18H18N4O5

E. Tiekink, O. Blacque, A. El-Emam, 2022, Zeitschrift für Kristallographie - New Crystal Structures.

Design and synthesis new indole-based aromatase/iNOS inhibitors with apoptotic antiproliferative activity

L. H. Al-Wahaibi, M. Abdelrahman, Martha M. Morcoss, 2024, Frontiers in chemistry.