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In Silico Studies of Some Isoflavonoids as Potential Candidates against COVID-19 Targeting Human ACE2 (hACE2) and Viral Main Protease (Mpro)
Author / Creator:Alesawy, Mohamed S. ; Abdallah, Abdallah E. ; Taghour, Mohammed S. ; Elkaeed, Eslam B. ; H. Eissa, Ibrahim ; Metwaly, Ahmed M.
Publisher:Basel: MDPI AG
Journal title:Molecules (Basel, Switzerland), 2021-05, Vol.26 (9), p.2806
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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
Author / Creator:Taghour, Mohammed S. ; Elkady, Hazem ; Eldehna, Wagdy M. ; El-Deeb, Nehal M. ; Kenawy, Ahmed M. ; Elkaeed, Eslam B. ; Alsfouk, Aisha A. ; Alesawy, Mohamed S. ; Metwaly, Ahmed M. ; Eissa, Ibrahim. H.
Publisher:Abingdon: Taylor & Francis
Journal title:Journal of enzyme inhibition and medicinal chemistry, 2022-12, Vol.37 (1), p.1903-1917
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Integrated study of Quercetin as a potent SARS-CoV-2 RdRp inhibitor: Binding interactions, MD simulations, and In vitro assays
Author / Creator:Metwaly, Ahmed M. ; El-Fakharany, Esmail M. ; Alsfouk, Aisha A. ; Ibrahim, Ibrahim M. ; Elkaeed, Eslam B. ; Eissa, Ibrahim. H.
Publisher:United States: Public Library of Science
Journal title:PloS one, 2024-12, Vol.19 (12), p.e0312866
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Design, Synthesis, Docking, DFT, MD Simulation Studies of a New Nicotinamide-Based Derivative: In Vitro Anticancer and VEGFR-2 Inhibitory Effects
Author / Creator:Elkaeed, Eslam B. ; Yousef, Reda G. ; Elkady, Hazem ; Gobaara, Ibraheem M. M. ; Alsfouk, Bshra A. ; Husein, Dalal Z. ; Ibrahim, Ibrahim M. ; Metwaly, Ahmed M. ; Eissa, Ibrahim H.
Publisher:Basel: MDPI AG
Journal title:Molecules (Basel, Switzerland), 2022-07, Vol.27 (14), p.4606
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Topo II inhibition and DNA intercalation by new phthalazine-based derivatives as potent anticancer agents: design, synthesis, anti-proliferative, docking, and in vivo studies
Author / Creator:Khalifa, Mohamed M. ; Al-Karmalawy, Ahmed A. ; Elkaeed, Eslam B. ; Nafie, Mohamed S. ; Tantawy, Mohamed A. ; Eissa, Ibrahim H. ; Mahdy, Hazem A.
Publisher:England: Taylor & Francis
Journal title:Journal of enzyme inhibition and medicinal chemistry, 2022-12, Vol.37 (1), p.299-314
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In Silico Exploration of Potential Natural Inhibitors against SARS-Cov-2 nsp10
Author / Creator:Eissa, Ibrahim H. ; Khalifa, Mohamed M. ; Elkaeed, Eslam B. ; Hafez, Elsayed E. ; Alsfouk, Aisha A. ; Metwaly, Ahmed M.
Publisher:Basel: MDPI AG
Journal title:Molecules (Basel, Switzerland), 2021-10, Vol.26 (20), p.6151
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In Silico Screening of Semi-Synthesized Compounds as Potential Inhibitors for SARS-CoV-2 Papain-like Protease: Pharmacophoric Features, Molecular Docking, ADMET, Toxicity and DFT Studies
Author / Creator:Alesawy, Mohamed S. ; Elkaeed, Eslam B. ; Alsfouk, Aisha A. ; Metwaly, Ahmed M. ; Eissa, Ibrahim H.
Publisher:Switzerland: MDPI AG
Journal title:Molecules (Basel, Switzerland), 2021-10, Vol.26 (21), p.6593
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New benzoxazole derivatives as potential VEGFR-2 inhibitors and apoptosis inducers: design, synthesis, anti-proliferative evaluation, flowcytometric analysis, and in silico studies
Author / Creator:Elkady, Hazem ; Elwan, Alaa ; El-Mahdy, Hesham A. ; Doghish, Ahmed S. ; Ismail, Ahmed ; Taghour, Mohammed S. ; Elkaeed, Eslam B. ; Eissa, Ibrahim H. ; Dahab, Mohammed A. ; Mahdy, Hazem A. ; Khalifa, Mohamed M.
Publisher:England: Taylor & Francis
Journal title:Journal of enzyme inhibition and medicinal chemistry, 2022-12, Vol.37 (1), p.403-416
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New Anticancer Theobromine Derivative Targeting EGFRWT and EGFRT790M: Design, Semi-Synthesis, In Silico, and In Vitro Anticancer Studies
Author / Creator:Elkaeed, Eslam B. ; Yousef, Reda G. ; Elkady, Hazem ; Alsfouk, Aisha A. ; Husein, Dalal Z. ; Ibrahim, Ibrahim M. ; Metwaly, Ahmed M. ; Eissa, Ibrahim H.
Publisher:Basel: MDPI AG
Journal title:Molecules (Basel, Switzerland), 2022-09, Vol.27 (18), p.5859
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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
Author / Creator:Taghour, Mohammed S. ; Elkady, Hazem ; Eldehna, Wagdy M. ; El-Deeb, Nehal ; Kenawy, Ahmed M. ; Elkaeed, Eslam B. ; Alsfouk, Bshra A. ; Alesawy, Mohamed S. ; Husein, Dalal Z. ; Metwaly, Ahmed M. ; Eissa, Ibrahim H.
Publisher:San Francisco: Public Library of Science
Journal title:PloS one, 2022-09, Vol.17 (9), p.e0272362
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ArticlesPeer ReviewedFull Text
(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, Computatio...
Author / Creator:Yousef, Reda G. ; Elkady, Hazem ; Elkaeed, Eslam B. ; Gobaara, Ibraheem M. M. ; Al-ghulikah, Hanan A. ; Husein, Dalal Z. ; Ibrahim, Ibrahim M. ; Metwaly, Ahmed M. ; Eissa, Ibrahim H.
Publisher:Switzerland: MDPI AG
Journal title:Molecules (Basel, Switzerland), 2022-11, Vol.27 (22), p.7719
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Ligand and Structure-Based In Silico Determination of the Most Promising SARS-CoV-2 nsp16-nsp10 2′-o-Methyltransferase Complex Inhibitors among 3009 FDA Approved Drugs
Author / Creator:Eissa, Ibrahim H. ; Alesawy, Mohamed S. ; Saleh, Abdulrahman M. ; Elkaeed, Eslam B. ; Alsfouk, Bshra A. ; El-Attar, Abdul-Aziz M. M. ; Metwaly, Ahmed M.
Publisher:Switzerland: MDPI AG
Journal title:Molecules (Basel, Switzerland), 2022-03, Vol.27 (7), p.2287
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Design, synthesis, in vitro biological assessment and molecular modeling insights for novel 3-(naphthalen-1-yl)-4,5-dihydropyrazoles as anticancer agents with potential EGFR inhibitory activity
Author / Creator:Eldehna, Wagdy M. ; El Hassab, Mahmoud A. ; Elsayed, Zainab M. ; Al-Warhi, Tarfah ; Elkady, Hazem ; Abo-Ashour, Mahmoud F. ; Abourehab, Mohammed A. S. ; Eissa, Ibrahim H. ; Abdel-Aziz, Hatem A.
Publisher:London: Nature Publishing Group UK
Journal title:Scientific reports, 2022-07, Vol.12 (1), p.12821-13, Article 12821
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Modified Benzoxazole-Based VEGFR-2 Inhibitors and Apoptosis Inducers: Design, Synthesis, and Anti-Proliferative Evaluation
Author / Creator:Elwan, Alaa ; Abdallah, Abdallah E. ; Mahdy, Hazem A. ; Dahab, Mohammed A. ; Taghour, Mohammed S. ; Elkaeed, Eslam B. ; Mehany, Ahmed B. M. ; Nabeeh, Ahmed ; Adel, Mohammed ; Alsfouk, Aisha A. ; Elkady, Hazem ; Eissa, Ibrahim H.
Publisher:Switzerland: MDPI AG
Journal title:Molecules (Basel, Switzerland), 2022-08, Vol.27 (15), p.5047
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New quinoline and isatin derivatives as apoptotic VEGFR-2 inhibitors: design, synthesis, anti-proliferative activity, docking, ADMET, toxicity, and MD simulation studies
Author / Creator:Elkaeed, Eslam B. ; Taghour, Mohammed S. ; Mahdy, Hazem A. ; Eldehna, Wagdy M. ; El-Deeb, Nehal M. ; Kenawy, Ahmed M. ; A. Alsfouk, Bshra ; Dahab, Mohammed A. ; Metwaly, Ahmed M. ; Eissa, Ibrahim H. ; El-Zahabi, Mohamed A.
Publisher:Abingdon: Taylor & Francis
Journal title:Journal of enzyme inhibition and medicinal chemistry, 2022-12, Vol.37 (1), p.2191-2205
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Chemistry and Pharmacology of Delta-8-Tetrahydrocannabinol
Author / Creator:Abdel-Kader, Maged S. ; Radwan, Mohamed M. ; Metwaly, Ahmed M. ; Eissa, Ibrahim H. ; Hazekamp, Arno ; ElSohly, Mahmoud A.
Publisher:Switzerland: MDPI AG
Journal title:Molecules (Basel, Switzerland), 2024-03, Vol.29 (6), p.1249
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Discovery of new nicotinamides as apoptotic VEGFR-2 inhibitors: virtual screening, synthesis, anti-proliferative, immunomodulatory, ADMET, toxicity, and molecular dynamic simulation studies
Author / Creator:Yousef, Reda G. ; Ibrahim, Albaraa ; Khalifa, Mohamed M. ; Eldehna, Wagdy M. ; Gobaara, Ibraheem M. M. ; Mehany, Ahmed B. M. ; Elkaeed, Eslam B. ; Alsfouk, Aisha A. ; Metwaly, Ahmed M. ; Eissa, Ibrahim H.
Publisher:England: Taylor & Francis
Journal title:Journal of enzyme inhibition and medicinal chemistry, 2022-12, Vol.37 (1), p.1389-1403
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Discovery of New VEGFR-2 Inhibitors: Design, Synthesis, Anti-Proliferative Evaluation, Docking, and MD Simulation Studies
Author / Creator:Elkaeed, Eslam B. ; Yousef, Reda G. ; Khalifa, Mohamed M. ; Ibrahim, Albaraa ; Mehany, Ahmed B. M. ; Gobaara, Ibraheem M. M. ; Alsfouk, Bshra A. ; Eldehna, Wagdy M. ; Metwaly, Ahmed M. ; Eissa, Ibrahim H. ; El-Zahabi, Mohamed Ayman
Publisher:Switzerland: MDPI AG
Journal title:Molecules (Basel, Switzerland), 2022-09, Vol.27 (19), p.6203
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Benzoxazole derivatives as new VEGFR-2 inhibitors and apoptosis inducers: design, synthesis, in silico studies, and antiproliferative evaluation
Author / Creator:Taghour, Mohammed S. ; Mahdy, Hazem A. ; Gomaa, Maher H. ; Aglan, Ahmed ; Eldeib, Mahmoud Gomaa ; Elwan, Alaa ; Dahab, Mohammed A. ; Elkaeed, Eslam B. ; Alsfouk, Aisha A. ; Khalifa, Mohamed M. ; Eissa, Ibrahim H. ; Elkady, Hazem
Publisher:Abingdon: Taylor & Francis
Journal title:Journal of enzyme inhibition and medicinal chemistry, 2022-12, Vol.37 (1), p.2063-2077
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Isolation and In Silico Anti-SARS-CoV-2 Papain-Like Protease Potentialities of Two Rare 2-Phenoxychromone Derivatives from Artemisia spp
Author / Creator:Suleimen, Yerlan M. ; Jose, Rani A. ; Suleimen, Raigul N. ; Arenz, Christoph ; Ishmuratova, Margarita ; Toppet, Suzanne ; Dehaen, Wim ; Alsfouk, Aisha A. ; Elkaeed, Eslam B. ; Eissa, Ibrahim H. ; Metwaly, Ahmed M.
Publisher:Switzerland: MDPI AG
Journal title:Molecules (Basel, Switzerland), 2022-02, Vol.27 (4), p.1216
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Showing 1 to 20 of 81 results

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In Silico Studies of Some Isoflavonoids as Potential Candidates against COVID-19 Targeting Human ACE2 (hACE2) and Viral Main Protease (Mpro)

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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

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Integrated study of Quercetin as a potent SARS-CoV-2 RdRp inhibitor: Binding interactions, MD simulations, and In vitro assays

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Design, Synthesis, Docking, DFT, MD Simulation Studies of a New Nicotinamide-Based Derivative: In Vitro Anticancer and VEGFR-2 Inhibitory Effects

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Topo II inhibition and DNA intercalation by new phthalazine-based derivatives as potent anticancer agents: design, synthesis, anti-proliferative, docking, and in vivo studies

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In Silico Exploration of Potential Natural Inhibitors against SARS-Cov-2 nsp10

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In Silico Screening of Semi-Synthesized Compounds as Potential Inhibitors for SARS-CoV-2 Papain-like Protease: Pharmacophoric Features, Molecular Docking, ADMET, Toxicity and DFT Studies

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New benzoxazole derivatives as potential VEGFR-2 inhibitors and apoptosis inducers: design, synthesis, anti-proliferative evaluation, flowcytometric analysis, and in silico studies

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

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Ligand and Structure-Based In Silico Determination of the Most Promising SARS-CoV-2 nsp16-nsp10 2′-o-Methyltransferase Complex Inhibitors among 3009 FDA Approved Drugs

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Design, synthesis, in vitro biological assessment and molecular modeling insights for novel 3-(naphthalen-1-yl)-4,5-dihydropyrazoles as anticancer agents with potential EGFR inhibitory activity

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

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New quinoline and isatin derivatives as apoptotic VEGFR-2 inhibitors: design, synthesis, anti-proliferative activity, docking, ADMET, toxicity, and MD simulation studies

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Chemistry and Pharmacology of Delta-8-Tetrahydrocannabinol

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Discovery of new nicotinamides as apoptotic VEGFR-2 inhibitors: virtual screening, synthesis, anti-proliferative, immunomodulatory, ADMET, toxicity, and molecular dynamic simulation studies

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Discovery of New VEGFR-2 Inhibitors: Design, Synthesis, Anti-Proliferative Evaluation, Docking, and MD Simulation Studies

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

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Isolation and In Silico Anti-SARS-CoV-2 Papain-Like Protease Potentialities of Two Rare 2-Phenoxychromone Derivatives from Artemisia spp

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