Publications

Samar S. Tawfik, Eslam Elhanafy, Samar J. Almehmadi, Wafaa A. Ewes, Ahmed Elkamhawy, Khaled M. Elokely, Sherin M. Elfeky. Synthesis and biological evaluation of novel benzohydrazide derivatives of substituted quinazoline-2,4(1H,3H)-diones as Selective PARP-1 inhibitors with promising anti-proliferative activity, (2026) Journal of Molecular Structure, https://doi.org/10.1016/j.molstruc.2025.143667 

Noha A. Gouda, Assem Zhakupova, Ahmed M. Abdelaal, Firdos Ahmad, Ahmed Elkamhawy, The interplay involving oxidative stress and autophagy: Mechanisms, implications, and therapeutic opportunities, (2025) Experimental and Molecular Pathology,  https://doi.org/10.1016/j.yexmp.2025.104989 

A. Elkamhawy et al., Discovery of novel naphthalene-based diarylamides as pan-Raf kinase inhibitors with promising anti-melanoma activity: Rational design, synthesis, in vitro and in silico screening, (2025) Archives of Pharmacal Research, doi.org/10.1007/s12272-025-01533-5  

M. Song, A. Elkamhawy*, W. Noh, A.Z. Abdelazem, Y. Park, A. Sivaraman, A. Bertleuova, D. Atef, K. Lee*, Pyrimidine scaffold dual-target kinase inhibitors for cancer diseases: A review on design strategies, synthetic approaches, and structure–activity relationship (2018‒2023), (2025) Archiv der Pharmazie, doi.org/10.1002/ardp.202400163 

H. Lee, A. Elkamhawy*, P. Rakhalskaya, Q. Lu, H. Nada, G. Quan, K Lee*, Small Molecules in Parkinson’s Disease Therapy: From Dopamine Pathways to New Emerging Targets, (2024) Pharmaceuticals, doi.org/10.3390/ph17121688  

K Lee, H Nada, A.R. Gul, A. Elkamhawy, A.A. Al-Karmalawy, T.J. Park, K. Lee, Y. Choi, Targeting breast cancer with rationally designed quinazolines: A scaffold hopping strategy, (2024) Journal of Molecular Structure, doi.org/10.1016/j.molstruc.2024.138805 

H.W. Lee, A. Elkamhawy et al., Chalcone-based benzenesulfonamides as potent and selective inhibitors for human carbonic anhydrase II: Design, synthesis, in vitro, and in silico studies, (2024) Archiv der Pharmazie, doi.org/10.1002/ardp.202400069 

A. Elkamhawy et al., Rational design, synthesis, biological evaluation, and molecular modeling of novel naphthamide derivatives possessing potent, reversible, and competitive inhibitory mode of action over human monoamine oxidase, (2024) Molecular Diversity, doi.org/10.1007/s11030-024-10841-9  

A.A. Al-Karmalawy, …, A. Elkamhawy et al., Investigating the promising SARS-CoV-2 main protease inhibitory activity of secoiridoids isolated from Jasminum humile; in silico and in vitro assessments with structure-activity relationship, (2024) Journal of Biomolecular Structure and Dynamics, doi.org/10.1080/07391102.2023.2240419  

N.A. Gouda, …, A. Elkamhawy*, Therapeutic potential of natural products in inflammation: underlying molecular mechanisms, clinical outcomes, technological advances, and future perspectives, (2023) Inflammopharmacology, doi.org/10.1007/s10787-023-01366-y 

A. Elkamhawy et al., Visible-light-assisted base-catalyzed, one-pot synthesis of highly functionalized cinnolines, doi.org/10.1515/gps-2023-0121  

S.A. Antar, …, A. Elkamhawy* et al., Diabetes mellitus: Classification, mediators, and complications; A gate to identify potential targets for the development of new effective treatments, doi.org/10.1016/j.biopha.2023.115734

H. Nada, …, A. Elkamhawy et al., Machine Learning-Based Approach to Developing Potent EGFR Inhibitors for Breast Cancer-Design, Synthesis, and In Vitro Evaluation, doi.org/10.1021/acsomega.3c02799

S. El-Kalyouibi, …, A. Elkamhawy* et al., Design and synthesis of new spirooxindole candidates and their selenium nanoparticles as potential dual Topo I/II inhibitors, DNA intercalators, and apoptotic inducers, doi.org/10.1080/14756366.2023.2242714

K.U. Sadek, …, A. Elkamhawy*, Recent developments in the synthesis of hybrid heterocycles, a promising approach to develop multi-target antibacterial agents, doi.org/10.1016/j.molstruc.2023.135616

S. Godesi, …, A. Elkamhawy et al., Small Molecule c-KIT Inhibitors for the Treatment of Gastrointestinal Stromal Tumors: A Review on Synthesis, Design Strategies, and Structure–Activity Relationship (SAR), doi.org/10.3390/ijms24119450

A. Belal, …, A. Elkamhawy et al., Design of new captopril mimics as promising ACE inhibitors: ADME, pharmacophore, molecular docking and dynamics simulation with MM-PBSA and PCA calculations, doi.org/10.1080/16583655.2023.2210348

M.A.E. Mourad, …, A. Elkamhawy et al., Novel topoisomerase II/EGFR dual inhibitors: design, synthesis and docking studies of naphtho[2′,3′:4,5]thiazolo[3,2-a]pyrimidine hybrids as potential anticancer agents with apoptosis inducing activity, doi.org/10.1080/14756366.2023.2205043

S. Son, A. Elkamhawy et al., Development of new TAK-285 derivatives as potent EGFR/HER2 inhibitors possessing antiproliferative effects against 22RV1 and PC3 prostate carcinoma cell lines, doi.org/10.1080/14756366.2023.2202358

F. Farouk, …, A. Elkamhawy et al., Investigating the potential anticancer activities of antibiotics as topoisomerase II inhibitors and DNA intercalators: in vitro, molecular docking, molecular dynamics, and SAR studies, doi.org/10.1080/14756366.2023.2171029

A. Elkamhawy et al., Novel Hybrid Indole-Based Caffeic Acid Amide Derivatives as Potent Free Radical Scavenging Agents: Rational Design, Synthesis, Spectroscopic Characterization, In Silico and In Vitro Investigations, doi.org/10.3390/metabo13020141

A. Elkamhawy et al., Design, Synthesis, Biological Evaluation, and Molecular Dynamics Studies of Novel Lapatinib Derivatives, doi.org/10.3390/ph16010043

A.A. Al-Karmalawy, …, A. Elkamhawy et al., Ligand-Based Design on the Dog-Bone-Shaped BIBR1532 Pharmacophoric Features and Synthesis of Novel Analogues as Promising Telomerase Inhibitors with In Vitro and In Vivo Evaluations, doi.org/10.1021/acs.jmedchem.2c01668

M.H. Abdellattif, H. Nada, A. Elkamhawy, Synthesis, Biological Evaluation, and In Silico Studies of New Heterocycles Incorporating 4,5,6,7-Tetrabromophthalimide Moiety as Potential Antibacterial and Anticancer Agents, doi.org/10.3987/com-21-14535

H. Nada, A. Elkamhawy et al., 4-Anilinoquinazoline-based benzenesulfonamides as nanomolar inhibitors of carbonic anhydrase isoforms I, II, IX, and XII: design, synthesis, in-vitro, and in-silico biological studies, doi.org/10.1080/14756366.2022.2055553

N.A. Gouda, A. Elkamhawy, J. Cho, Emerging Therapeutic Strategies for Parkinson’s Disease and Future Prospects: A 2021 Update, doi.org/10.3390/biomedicines10020371

H. Nada, …, A. Elkamhawy*, Identification of novel discoidin domain receptor 1 (DDR1) inhibitors using E-pharmacophore modeling, structure-based virtual screening, molecular dynamics simulation and MM-GBSA approaches, doi.org/10.1016/j.compbiomed.2022.105217

A. Elkamhawy et al., Identification of Novel and Potent Indole-Based Benzenesulfonamides as Selective Human Carbonic Anhydrase II Inhibitors: Design, Synthesis, In Vitro, and In Silico Studies, doi.org/10.3390/ijms23052540

M.H. Elsherbeny, …, A. Elkamhawy*, 2-(3-Bromophenyl)-8-fluoroquinazoline-4-carboxylic Acid as a Novel and Selective Aurora A Kinase Inhibitory Lead with Apoptosis Properties: Design, Synthesis, In Vitro and In Silico Biological Evaluation, doi.org/10.3390/life12060876

Y. Kaddouri, …, A. Elkamhawy et al., New N-Alkylated Heterocyclic Compounds as Prospective NDM1 Inhibitors: Investigation of In Vitro and In Silico Properties, doi.org/10.3390/ph15070803

P.L. Nguyen, A. Elkamhawy et al., Suppression of Tumor Growth and Cell Migration by Indole-Based Benzenesulfonamides and Their Synergistic Effects in Combination with Doxorubicin, doi.org/10.3390/ijms23179903

K.M. Amin, …, A. Elkamhawy et al., Scaffold Repurposing Reveals New Nanomolar Phosphodiesterase Type 5 (PDE5) Inhibitors Based on Pyridopyrazinone Scaffold: Investigation of In Vitro and In Silico Properties, doi.org/10.3390/pharmaceutics14091954

A. Elkamhawy et al., Identification of Novel Aryl Carboxamide Derivatives as Death-Associated Protein Kinase 1 (DAPK1) Inhibitors with Anti-Proliferative Activities: Design, Synthesis, In Vitro, and In Silico Biological Studies, doi.org/10.3390/ph15091050

M.H. Abdellattif, A. Elkamhawy et al., Novel saccharin analogs as promising antibacterial and anticancer agents: synthesis, DFT, POM analysis, molecular docking, molecular dynamic simulations, and cell-based assay, doi.org/10.3389/fphar.2022.958379

H. Nada, A. Elkamhawy, K. Lee, Identification of 1H-purine-2,6-dione derivative as a potential SARS-CoV-2 main protease inhibitor: molecular docking, dynamic simulations, and energy calculations, doi.org/10.7717/peerj.14120

Q. Lu, …, A. Elkamhawy et al., Novel cudraisoflavone J derivatives as potent neuroprotective agents for the treatment of Parkinson's disease via the activation of Nrf2/HO-1 signaling, doi.org/10.1016/j.ejmech.2022.114692

M.H. Elsherbeny, …, A. Elkamhawy* et al., Highly Potent, Selective, and Competitive Indole-Based MAO-B Inhibitors Protect PC12 Cells against 6-Hydroxydopamine- and Rotenone-Induced Oxidative Stress, doi.org/10.3390/antiox10101641

A. Elkamhawy et al., Melatonin Analogues Potently Inhibit MAO-B and Protect PC12 Cells against Oxidative Stress, doi.org/10.3390/antiox10101604

K. Lee, …, A. Elkamhawy*, Hit Identification of a Novel Quinazoline Sulfonamide as a Promising EphB3 Inhibitor: Design, Virtual Combinatorial Library, Synthesis, Biological Evaluation, and Docking Simulation Studies, doi.org/10.3390/ph14121247

A. Elkamhawy* et al., Discovery of 3,4-dichloro-N-(1H-indol-5-yl)benzamide: A highly potent, selective, and competitive hMAO-B inhibitor with high BBB permeability profile and neuroprotective action, doi.org/10.1016/j.bioorg.2021.105352

M.H. Elsherbeny, A. Elkamhawy* et al., Development of New Meridianin/Leucettine-Derived Hybrid Small Molecules as Nanomolar Multi-Kinase Inhibitors with Antitumor Activity, doi.org/10.3390/biomedicines9091131 

A. Elkamhawy* et al.,  Scaffold Repurposing of In-House Small Molecule Candidates Leads to Discovery of First-in-Class CDK-1/HER-2 Dual Inhibitors: In Vitro and In Silico Screening, doi.org/10.3390/molecules26175324

A. Elkamhawy* et al., Discovery of novel and potent safinamide-based derivatives as highly selective hMAO-B inhibitors for treatment of Parkinson's disease (PD): Design, synthesis, in vitro, in vivo and in silico biological studies, doi.org/10.1016/j.bioorg.2021.105233

A. Elkamhawy et al., New horizons in drug discovery of lymphocyte-specific protein tyrosine kinase (Lck) inhibitors: a decade review (2011–2021) focussing on structure–activity relationship (SAR) and docking insights, doi.org/10.1080/14756366.2021.1937143

A. Elkamhawy et al., The Journey of DDR1 and DDR2 Kinase Inhibitors as Rising Stars in the Fight Against Cancer, doi.org/10.3390/ijms22126535

H. Nada, A. Elkamhawy, K. Lee, Structure Activity Relationship of Key Heterocyclic Anti-Angiogenic Leads of Promising Potential in the Fight against Cancer, doi.org/10.3390/molecules26030553

A. Elkamhawy et al., Discovery of N-(1-(3-fluorobenzoyl)-1H-indol-5-yl)pyrazine-2-carboxamide: a novel, selective, and competitive indole-based lead inhibitor for human monoamine oxidase B, doi.org/10.1080/14756366.2020.1800666 

M.M. Al-Sanea, A. Elkamhawy* et al., Sulfonamide-based 4-anilinoquinoline derivatives as novel dual Aurora kinase (AURKA/B) inhibitors: Synthesis, biological evaluation and in silico insights, doi.org/10.1016/j.bmc.2020.115525 

A. Elkamhawy et al., Thiazolidine-2,4-dione-based irreversible allosteric IKK- β inhibitors: Optimization into in vivo anti-inflammatory agents, doi.org/10.1016/j.ejmech.2019.111955

A. Elkamhawy et al., Optimization study towards more potent thiazolidine-2,4-dione IKK-β modulator: Synthesis, biological evaluation and in silico docking simulation, doi.org/10.1016/j.bioorg.2019.103261

M.M. Al-Sanea, A. Elkamhawy et al., Synthesis and biological evaluation of novel 3-(quinolin-4-ylamino)benzenesulfonamides as carbonic anhydrase isoforms I and II inhibitors, doi.org/10.1080/14756366.2019.1652282

A. Elkamhawy* et al., EGFR inhibitors from cancer to inflammation: Discovery of 4-fluoro-N-(4-(3-(trifluoromethyl)phenoxy)pyrimidin-5-yl)benzamide as a novel anti-inflammatory EGFR inhibitor, doi.org/10.1016/j.bioorg.2019.01.017

A. Elkamhawy* et al., Design, synthesis and biological evaluation of novel thiazolidinedione derivatives as irreversible allosteric IKK-β modulators, doi.org/10.1016/j.ejmech.2018.08.020

A. Elkamhawy* et al., Pyrazinyl ureas revisited: 1-(3-(Benzyloxy)pyrazin-2-yl)-3-(3,4-dichlorophenyl)urea, a new blocker of Aβ-induced mPTP opening for Alzheimer’s disease, doi.org/10.1016/j.ejmech.2018.07.068

S.M. Kang, …, A. Elkamhawy et al., Repositioning of the antipsychotic trifluoperazine: Synthesis, biological evaluation and in silico study of trifluoperazine analogs as anti-glioblastoma agents, doi.org/10.1016/j.ejmech.2018.03.055

A. Elkamhawy et al., Synthesis and evaluation of 2-(3-arylureido)pyridines and 2-(3-arylureido)pyrazines as potential modulators of Aβ-induced mitochondrial dysfunction in Alzheimer's disease, doi.org/10.1016/j.ejmech.2017.12.045

A. Elkamhawy* et al., Hit discovery of 4-amino-N-(4-(3-(trifluoromethyl)phenoxy)pyrimidin-5-yl)benzamide: A novel EGFR inhibitor from a designed small library, doi.org/10.1016/j.bioorg.2017.10.009

A.K. Farag, A. Elkamhawy et al., Novel LCK/FMS inhibitors based on phenoxypyrimidine scaffold as potential treatment for inflammatory disorders, doi.org/10.1016/j.ejmech.2017.10.003

J.E. Park, A. Elkamhawy* et al., Synthesis and evaluation of new pyridyl/pyrazinyl thiourea derivatives: Neuroprotection against amyloid-β-induced toxicity, doi.org/10.1016/j.ejmech.2017.09.043

A. Elkamhawy et al., Discovery of 2-(4-chloro-2-aryloxyphenyl)-1,4-dihydroisoquinolin-3(2H)-ones as TSPO ligands blocking/enhancing Aβ-induced mPTP opening: Molecular modelling study, doi.org/10.1016/j.ejps.2017.04.015

A. Elkamhawy et al., Discovery of 1-(3-(benzyloxy)pyridin-2-yl)-3-(2-(piperazin-1-yl)ethyl)urea: a new modulator for amyloid beta-induced mitochondrial dysfunction, doi.org/10.1016/j.ejmech.2016.12.057

A. Elkamhawy et al., Discovery of a broad spectrum antiproliferative agent with selectivity for DDR1 kinase: cell line-based assay, kinase panel, molecular docking, and toxicity studies, doi.org/10.3109/14756366.2015.1004057

A. Elkamhawy et al., Targeting EGFR/HER2 tyrosine kinases with a new potent series of 6-substituted 4-anilinoquinazoline hybrids: Design, synthesis, kinase assay, cell-based assay, and molecular docking, doi.org/10.1016/j.bmcl.2015.10.003

A. Elkamhawy et al., Discovery of potent and selective cytotoxic activity of new quinazoline-ureas against TMZ-resistant glioblastoma multiforme (GBM), doi.org/10.1016/j.ejmech.2015.08.001

A. Elkamhawy et al., Design and synthesis of new [1,2,3]triazolo[4,5-d]pyrimidine derivatives as potential antiproliferative agents, doi.org/10.1002/bkcs.10363

M.M. Al-Sanea, A. Elkamhawy et al., Synthesis and in vitro screening of phenylbipyridinylpyrazole derivatives as potential antiproliferative agents, doi.org/10.3390/molecules20011031

A. Elkamhawy et al., Novel quinazoline-urea analogues as modulators for Aβ-induced mitochondrial dysfunction: Design, synthesis, and molecular docking study, doi.org/10.1016/j.ejmech.2014.07.027