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ArticlesPeer ReviewedFull Text
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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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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ArticlesPeer ReviewedFull Text
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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ArticlesPeer ReviewedFull Text
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
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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ArticlesPeer ReviewedFull Text
Synthesis, biological evaluation, and molecular docking of new series of antitumor and apoptosis inducers designed as VEGFR-2 inhibitors
Author / Creator:Abdallah, Abdallah E. ; Mabrouk, Reda R. ; Al Ward, Maged Mohammed Saleh ; Eissa, Sally I. ; Elkaeed, Eslam B. ; Mehany, Ahmed B. M. ; Abo-Saif, Mariam A. ; El-Feky, Ola A. ; Alesawy, Mohamed S. ; El-Zahabi, Mohamed Ayman
Publisher:England: Taylor & Francis
Journal title:Journal of enzyme inhibition and medicinal chemistry, 2022-12, Vol.37 (1), p.573-591
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ArticlesPeer ReviewedFull Text
Anticancer derivative of the natural alkaloid, theobromine, inhibiting EGFR protein: Computer-aided drug discovery approach
Author / Creator:Eissa, Ibrahim H. ; Yousef, Reda G. ; Elkaeed, Eslam B. ; Alsfouk, Aisha A. ; Husein, Dalal Z. ; Ibrahim, Ibrahim M. ; Alesawy, Mohamed S. ; Elkady, Hazem ; Metwaly, Ahmed M.
Publisher:United States: Public Library of Science
Journal title:PloS one, 2023-03, Vol.18 (3), p.e0282586
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ArticlesPeer ReviewedFull Text
Ligand-based design and synthesis of N'-Benzylidene-3,4-dimethoxybenzohydrazide derivatives as potential antimicrobial agents; evaluation by in vitro, in vivo, and in silico approaches with SAR studie...
Author / Creator:Ezz Eldin, Rogy R. ; Saleh, Marwa A. ; Alotaibi, Mohammad Hayal ; Alsuair, Reem K. ; Alzahrani, Yahya A. ; Alshehri, Feras A. ; Mohamed, Amany F. ; Hafez, Shaimaa M. ; Althoqapy, Azza Ali ; Khirala, Seham K. ; Amin, Mona M. ; A. F, Yousuf ; AbdElwahab, Azza H. ; Alesawy, Mohamed S. ; Elmaaty, Ayman Abo ; Al-Karmalawy, Ahmed A.
Publisher:England: Taylor & Francis
Journal title:Journal of enzyme inhibition and medicinal chemistry, 2022-12, Vol.37 (1), p.1098-1119
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ArticlesPeer ReviewedFull Text
Discovery of Potential SARS-CoV-2 Papain-like Protease Natural Inhibitors Employing a Multi-Phase In Silico Approach
Author / Creator:Elkaeed, Eslam B. ; Metwaly, Ahmed M. ; Alesawy, Mohamed S. ; Saleh, Abdulrahman M. ; Alsfouk, Aisha A. ; Eissa, Ibrahim H.
Publisher:Switzerland: MDPI AG
Journal title:Life (Basel, Switzerland), 2022-09, Vol.12 (9), p.1407
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ArticlesPeer ReviewedFull Text
Anticancer derivative of the natural alkaloid, theobromine, inhibiting EGFR protein: Computer-aided drug discovery approach Anticancer derivative of the natural alkaloid, theobromine, inhibiting EGFR...
Author / Creator:Ibrahim H. Eissa ; Reda G. Yousef ; Eslam B. Elkaeed ; Aisha A. Alsfouk ; Dalal Z. Husein ; Ibrahim M. Ibrahim ; Mohamed S. Alesawy ; Hazem Elkady ; Ahmed M. Metwaly
Publisher:Public Library of Science (PLoS)
Journal title:PloS one, 2023-01, Vol.18 (3)
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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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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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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, 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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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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Synthesis, biological evaluation, and molecular docking of new series of antitumor and apoptosis inducers designed as VEGFR-2 inhibitors

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Anticancer derivative of the natural alkaloid, theobromine, inhibiting EGFR protein: Computer-aided drug discovery approach

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Ligand-based design and synthesis of N'-Benzylidene-3,4-dimethoxybenzohydrazide derivatives as potential antimicrobial agents; evaluation by in vitro, in vivo, and in silico approaches with SAR studie...

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Discovery of Potential SARS-CoV-2 Papain-like Protease Natural Inhibitors Employing a Multi-Phase In Silico Approach

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Anticancer derivative of the natural alkaloid, theobromine, inhibiting EGFR protein: Computer-aided drug discovery approach Anticancer derivative of the natural alkaloid, theobromine, inhibiting EGFR...

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