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Identification of new theobromine-based derivatives as potent VEGFR-2 inhibitors: design, semi-synthesis, biological evaluation, and in silico studies

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Rationale design and synthesis of new apoptotic thiadiazole derivatives targeting VEGFR-2: computational andin vitrostudies

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Novel quinoxaline-3-propanamides as VGFR-2 inhibitors and apoptosis inducers

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Design, synthesis, anticancer evaluation, and in silico ADMET analysis of novel thalidomide analogs as promising immunomodulatory agents

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Design, synthesis, anti-proliferative evaluation, docking, and MD simulation studies of new thieno[2,3-d]pyrimidines targeting VEGFR-2

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Targeted suppression of oral squamous cell carcinoma by pyrimidine-tethered quinoxaline derivatives

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Design, synthesis, in silico studies, and biological evaluation of novel pyrimidine-5-carbonitrile derivatives as potential anti-proliferative agents, VEGFR-2 inhibitors and apoptotic inducers

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Design, synthesis, and biological evaluation of novel bioactive thalidomide analogs as anticancer immunomodulatory agents

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New nicotinamide–thiadiazol hybrids as VEGFR-2 inhibitors for breast cancer therapy: design, synthesis and in silico and in vitro evaluation

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Imatinib- N -oxide through chemical modification of imatinib and investigation of in-vitro potential toxic metabolite formation

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In silico, in vitro VEGFR-2 inhibition, and anticancer activity of a 3-(hydrazonomethyl)naphthalene-2-ol derivative

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Journal of Biomolecular Structure and Dynamics, 2023, 41, 7986
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New thiazolidine-2,4-diones as effective anti-proliferative and anti-VEGFR-2 agents: Design, synthesis, in vitro, docking, MD simulations, DFT, ADMET, and toxicity studies

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Synthesis of novel nicotinic acid derivatives of potential antioxidant and anticancer activity

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Integrated in silico and in vitro exploration of the anti-VEGFR-2 activities of a semisynthetic xanthine alkaloid inhibiting breast cancer

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Discovery of Some Heterocyclic Molecules as Bone Morphogenetic Protein 2 (BMP-2)-Inducible Kinase Inhibitors: Virtual Screening, ADME Properties, and Molecular Docking Simulations

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A Multistage In Silico Study of Natural Potential Inhibitors Targeting SARS-CoV-2 Main Protease

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Design, synthesis, molecular modeling and biological evaluation of novel Benzoxazole-Benzamide conjugates via a 2-Thioacetamido linker as potential anti-proliferative agents, VEGFR-2 inhibitors and apoptotic inducers

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A New Theobromine-Based EGFRWT and EGFRT790M Inhibitor and Apoptosis Inducer: Design, Semi-Synthesis, Docking, DFT, MD Simulations, and In Vitro Studies

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New 2-oxoindole derivatives as multiple PDGFRα/ß and VEGFR-2 tyrosine kinase inhibitors

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Discovery of new quinoxaline-based derivatives as anticancer agents and potent VEGFR-2 inhibitors: Design, synthesis, and in silico study

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Novel pyrrolo[2,3-d]pyrimidine derivatives as multi-kinase inhibitors with VEGFR-2 selectivity

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Semi-synthesized anticancer theobromine derivatives targeting VEGFR-2: in silico and in vitro evaluations

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Journal of Biomolecular Structure and Dynamics, 2024, 42, 4214
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Design and synthesis of thiazolidine-2,4-diones hybrids with 1,2-dihydroquinolones and 2-oxindoles as potential VEGFR-2 inhibitors: in-vitro anticancer evaluation and in-silico studies

Mohammed S. Taghour, Hazem Elkady, Wagdy M. Eldehna, Nehal M. El-Deeb, Ahmed M. Kenawy, Eslam B. Elkaeed, Aisha A. Alsfouk, Mohamed S. Alesawy, Ahmed M. Metwaly and Ibrahim. H. Eissa

Journal of Enzyme Inhibition and Medicinal Chemistry, 2022, 37, 1903
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Novel 7-Deazapurine Incorporating Isatin Hybrid Compounds as Protein Kinase Inhibitors: Design, Synthesis, In Silico Studies, and Antiproliferative Evaluation

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Molecules, 2023, 28, 5869
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New [1,2,4]triazolo[4,3‐c]quinazoline derivatives as vascular endothelial growth factor receptor‐2 inhibitors and apoptosis inducers: Design, synthesis, docking, and antiproliferative evaluation

Ahmed E. Azab, Mohamed S. Alesawy, Wagdy M. Eldehna, Alaa Elwan and Ibrahim H. Eissa

Archiv der Pharmazie, 2022, 355
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Design, semi-synthesis, anti-cancer assessment, docking, MD simulation, and DFT studies of novel theobromine-based derivatives as VEGFR-2 inhibitors and apoptosis inducers

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Design, Synthesis, and Biological Evaluation of 2-Mercaptobenzoxazole Derivatives as Potential Multi-Kinase Inhibitors

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Advances in Quinoxaline Derivatives: Multi‐Target Anticancer Potential and Nanocatalyst‐Driven Synthesis

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New Anticancer Theobromine Derivative Targeting EGFRWT and EGFRT790M: Design, Semi-Synthesis, In Silico, and In Vitro Anticancer Studies

Eslam B. Elkaeed, Reda G. Yousef, Hazem Elkady, Aisha A. Alsfouk, Dalal Z. Husein, Ibrahim M. Ibrahim, Ahmed M. Metwaly and Ibrahim H. Eissa

Molecules, 2022, 27, 5859
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Synthesis, Characterizations, and Quantum Chemical Investigations on Imidazo[1,2-a]pyrimidine-Schiff Base Derivative: (E)-2-Phenyl-N-(thiophen-2-ylmethylene)imidazo[1,2-a]pyrimidin-3-amine

Mohamed Azzouzi, Omar Azougagh, Abderrahim Ait Ouchaoui, Salah eddine El hadad, Stéphane Mazières, Soufian El Barkany, Mohamed Abboud and Adyl Oussaid

ACS Omega, 2024, 9, 837
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Benzoxazole derivatives as new VEGFR-2 inhibitors and apoptosis inducers: design, synthesis, in silico studies, and antiproliferative evaluation

Mohammed S. Taghour, Hazem A. Mahdy, Maher H. Gomaa, Ahmed Aglan, Mahmoud Gomaa Eldeib, Alaa Elwan, Mohammed A. Dahab, Eslam B. Elkaeed, Aisha A. Alsfouk, Mohamed M. Khalifa, Ibrahim H. Eissa and Hazem Elkady

Journal of Enzyme Inhibition and Medicinal Chemistry, 2022, 37, 2063
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Quinoxaline derivatives: Recent discoveries and development strategies towards anticancer agents

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European Journal of Medicinal Chemistry, 2024, 271, 116360
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Expanding the therapeutic arsenal against cancer: a computational investigation of hybrid xanthone derivatives as selective Topoisomerase 2α ATPase inhibitors

Urvashee Gogoi, Neelutpal Gogoi, Sanchaita Rajkhowa, Shah Alam Khan, Nisreen Daffa Alla Omer Hajedris, Nawal Al-Hoshani, Samia T. Al-Shouli and Aparoop Das

Journal of Biomolecular Structure and Dynamics, 2025, 43, 211
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(E)-N-(3-(1-(2-(4-(2,2,2-Trifluoroacetamido)benzoyl)hydrazono)ethyl)phenyl)nicotinamide: A Novel Pyridine Derivative for Inhibiting Vascular Endothelial Growth Factor Receptor-2: Synthesis, Computational, and Anticancer Studies

Reda G. Yousef, Hazem Elkady, Eslam B. Elkaeed, Ibraheem M. M. Gobaara, Hanan A. Al-ghulikah, Dalal Z. Husein, Ibrahim M. Ibrahim, Ahmed M. Metwaly and Ibrahim H. Eissa

Molecules, 2022, 27, 7719
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Design and synthesis of new nicotinamides as immunomodulatory VEGFR-2 inhibitors and apoptosis inducers

Reda G Yousef, Ibrahim H Eissa, Hazem Elkady, Ahmed B M Mehany, Mariam Ali Abo-Saif, Mohamed M Radwan, Mahmoud A ElSohly, Ibrahim M Ibrahim, Alaa Elwan and Mohamed Ayman El-Zahabi

Future Medicinal Chemistry, 2024, 16, 2583
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Design, Molecular Modeling, MD Simulations, Essential Dynamics, ADMET, DFT, Synthesis, Anti-proliferative, and Apoptotic Evaluations of a New Anti-VEGFR-2 Nicotinamide Analogue

Ibrahim H. Eissa, Eslam B. Elkaeed, Hazem Elkady, Reda G. Yousef, Bshra A. Alsfouk, Heba S.A. Elzahabi, Ibrahim M. Ibrahim, Ahmed M. Metwaly and Dalal Z. Husein

CPD, 2023, 29, 2902
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Modified Benzoxazole-Based VEGFR-2 Inhibitors and Apoptosis Inducers: Design, Synthesis, and Anti-Proliferative Evaluation

Alaa Elwan, Abdallah E. Abdallah, Hazem A. Mahdy, Mohammed A. Dahab, Mohammed S. Taghour, Eslam B. Elkaeed, Ahmed B. M. Mehany, Ahmed Nabeeh, Mohammed Adel, Aisha A. Alsfouk, Hazem Elkady and Ibrahim H. Eissa

Molecules, 2022, 27, 5047
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Design, synthesis, molecular docking, ADMET studies, and biological activity evaluation of new 2-({[3-aryl-1,2,4-oxadiazol-5-yl)methyl]thio}-1H-benzimidazoles and 6-amino-6-aryl-5,6-dihydro[1,6,2,4]oxathiadiazocino[4,5-a]benzimidazol-3(2H)-ones

Mohamed Sharaf, Amr H. Moustafa, Rami J. Obaid, Abdullah Y.A. Alzahrani, Moustafa O. Aboelez, Hazem Elkady, Noof A. Alenazi, Mounir A.A. Mohamed, Jabir H. Al-Fahemi, Ziad Moussa, Omran A. Omran and Saleh A. Ahmed

Journal of Molecular Structure, 2024, 1295, 136708
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In vitro and in silico evaluation of new thieno[2,3-d]pyrimidines as anti-cancer agents and apoptosis inducers targeting VEGFR-2

Souad A. El-Metwally, Abdelrahman A. Abuelkhir, Hazem Elkady, Mohammed S. Taghour, Ibrahim M. Ibrahim, Dalal Z. Husein, Aisha A. Alsfouk, Ahlam Sultan, Ahmed Ismail, Samy Y. Elkhawaga, Eslam B. Elkaeed, Ahmed M. Metwaly and Ibrahim H. Eissa

Computational Biology and Chemistry, 2023, 106, 107928
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The Benzoxazole Heterocycle: A Comprehensive Review of the Most Recent Medicinal Chemistry Developments of Antiproliferative, Brain-Penetrant, and Anti-inflammatory Agents

Simona Di Martino and Maria De Rosa

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Design, synthesis, anticancer evaluation, in silico docking and ADMET analysis of novel indole-based thalidomide analogs as promising immunomodulatory agents

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Journal of Biomolecular Structure and Dynamics, 2023, 41, 15106
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New modified thieno[2,3-d]pyrimidine derivatives as VEGFR-2 inhibitors: Design, synthesis, in vitro anti-cancer evaluation and divers in silico studies

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Design, synthesis, anti-proliferative evaluation, docking, and MD simulations studies of new thiazolidine-2,4-diones targeting VEGFR-2 and apoptosis pathway

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Antiproliferative Activity, Multikinase Inhibition, Apoptosis- Inducing Effects and Molecular Docking of Novel Isatin–Purine Hybrids

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Medicina, 2023, 59, 610
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New Thiouracil Derivatives As Histone Deacetylase Inhibitors and Apoptosis Inducers: Design, Synthesis and Anticancer Evaluation

Omnia R Elbatrawy, Moshira A El Deeb, Mohamed Hagras, Fatimah Agili, Maghawry Hegazy, Ahmed A El-Husseiny, Mohamed A Elkady, Ibrahim H Eissa and Samar El-Kalyoubi

Future Med. Chem., 2023, 15, 1019
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Design, synthesis and molecular docking of new fused 1 H -pyrroles, pyrrolo[3,2- d ]pyrimidines and pyrrolo[3,2- e ][1, 4]diazepine derivatives as potent EGFR/CDK2 inhibitors

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Journal of Enzyme Inhibition and Medicinal Chemistry, 2022, 37, 1884
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Discovery of New VEGFR-2 Inhibitors and Apoptosis inducer-based thieno[2,3- d ]pyrimidine

Souad A El-Metwally, Hazem Elkady, Mohamed Hagras, Eslam B Elkaeed, Bshra A Alsfouk, Ahmed S Doghish, Ibrahim M Ibrahim, Mohammed S Taghour, Dalal Z Husein, Ahmed M Metwaly and Ibrahim H Eissa

Future Med. Chem., 2023, 15, 2065
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Integrated in silico and in vitro discovery of a new anticancer thiadiazole analog targeting VEGFR-2

Ibrahim H. Eissa, Hazem Elkady, Walid E. Elgammal, Hazem.A. Mahdy, Eslam B. Elkaeed, Aisha A. Alsfouk, Ibrahim M. Ibrahim, Dalal Z. Husein and Ahmed M. Metwaly

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Discovery of new thiazolidine-2,4-dione derivatives as potential VEGFR-2 inhibitors: In vitro and in silico studies

Ibrahim H. Eissa, Hazem Elkady, Mahmoud Rashed, Alaa Elwan, Mohamed Hagras, Mohammed A. Dahab, Mohammed S. Taghour, Ibrahim M. Ibrahim, Dalal Z. Husein, Eslam B. Elkaeed, Hanan A. Al-ghulikah, Ahmed M. Metwaly and Hazem A. Mahdy

Heliyon, 2024, 10, e24005
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Modified pyrido[2,3-d]pyrimidin-4(3H)-one derivatives as EGFRWT and EGFRT790M inhibitors: Design, synthesis, and anti-cancer evaluation

Eman S. Nossier, Rania A. Alasfoury, Mohamed Hagras, May El-Manawaty, Sara M. Sayed, Ibrahim M. Ibrahim, Hazem Elkady, Ibrahim H. Eissa and Heba S.A. Elzahabi

Journal of Molecular Structure, 2022, 1270, 133971
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Combined Computational and Experimental Studies of Anabasine Encapsulation by Beta-Cyclodextrin

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Plants, 2022, 11, 2283
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New Thiadiazole‐Benzenesulfonamide Hybrids as Dual B‐Raf/VEGFR‐2 Inhibitors With Promising Anti‐Hepatic Cancer Activity

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Chem Biol Drug Des, 2025, 106
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Novel promising benzoxazole/benzothiazole‐derived immunomodulatory agents: Design, synthesis, anticancer evaluation, and in silico ADMET analysis

Hazem Elkady, Khaled El‐Adl, Helmy Sakr, Adel S. Abdelraheem, Sally I. Eissa and Mohamed Ayman El‐Zahabi

Archiv der Pharmazie, 2023, 356
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Development of newer generation Vascular endothelial growth factor Receptor-2 Inhibitors: Pharmacophore based design, virtual Screening, molecular Docking, molecular dynamic Simulation, and DFT analyses

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Journal of King Saud University - Science, 2024, 36, 103285
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New Theobromine Derivatives Inhibiting VEGFR-2: Design, Synthesis, Antiproliferative, Docking and Molecular Dynamics Simulations

Hazem A Mahdy, Hazem Elkady, Mohammed S Taghour, Alaa Elwan, Mohammed A Dahab, Mohamed A Elkady, Elsayed GE Elsakka, Eslam B Elkaeed, Bshra A Alsfouk, Ibrahim M Ibrahim, Ibrahim H Eissa and Ahmed M Metwaly

Future Med. Chem., 2023, 15, 1233
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Discovery of new quinoline and isatine derivatives as potential VEGFR-2 inhibitors: design, synthesis, antiproliferative, docking and MD simulation studies

Mohammed S. Taghour, Hazem Elkady, Wagdy M. Eldehna, Nehal El-Deeb, Ahmed M. Kenawy, Abeer E Abd El-Wahab, Eslam B. Elkaeed, Bshra A. Alsfouk, Ahmed M. Metwaly and Ibrahim H. Eissa

Journal of Biomolecular Structure and Dynamics, 2023, 41, 11535
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Challenging the anticolorectal cancer capacity of quinoxaline-based scaffold via triazole ligation unveiled new efficient dual VEGFR-2/MAO-B inhibitors

Mohammed Salah Ayoup, Ahmed Ammar, Hamida Abdel-Hamid, Adel Amer, Marwa M. Abu-Serie, Samah A. Nasr, Doaa A. Ghareeb, Mohamed Teleb and Gina N. Tageldin

Bioorganic Chemistry, 2024, 143, 107102
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Multi-Step In Silico Discovery of Natural Drugs against COVID-19 Targeting Main Protease

Eslam B. Elkaeed, Fadia S. Youssef, Ibrahim H. Eissa, Hazem Elkady, Aisha A. Alsfouk, Mohamed L. Ashour, Mahmoud A. El Hassab, Sahar M. Abou-Seri and Ahmed M. Metwaly

IJMS, 2022, 23, 6912
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An insight into the therapeutic impact of quinoxaline derivatives: Recent advances in biological activities (2020–2024)

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Results in Chemistry, 2025, 13, 101989
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