In Silico Study towards Repositioning of FDA-Approved Drug Candidates for Anticoronaviral Therapy: Molecular Docking, Molecular Dynamics and Binding Free Energy Calculations
Qayed, Wesam S, Ferreira, Rafaela S, Silva, José Rogério A
Published in Molecules (Basel, Switzerland) (01.09.2022)
Published in Molecules (Basel, Switzerland) (01.09.2022)
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Journal Article
Combined experimental/computational aspects for the molecular interaction of empagliflozin with bovine serum albumin: Quantification and application to human plasma
Hosny, Noha M., GadAllah, Mohamed I., Qayed, Wesam S.
Published in Luminescence (Chichester, England) (01.08.2023)
Published in Luminescence (Chichester, England) (01.08.2023)
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Journal Article
Computational Analysis of SAM Analogs as Methyltransferase Inhibitors of nsp16/nsp10 Complex from SARS-CoV-2
Balieiro, Alessandra M, Anunciação, Eduarda L S, Costa, Clauber H S, Qayed, Wesam S, Silva, José Rogério A
Published in International journal of molecular sciences (12.11.2022)
Published in International journal of molecular sciences (12.11.2022)
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Journal Article
Effects of Lidocaine-Derived Organic Compounds on Eosinophil Activation and Survival
Shin, Seung-Heon, Ye, Mi-Kyung, Chae, Mi-Hyun, Geum, Sang-Yen, Aboraia, Ahmed S, Abdel-Aal, Abu-Baker M, Qayed, Wesam S, Abd El-Wahab, Hend A A, Abou-Ghadir, Ola F, Aboul-Fadl, Tarek
Published in Molecules (Basel, Switzerland) (27.07.2023)
Published in Molecules (Basel, Switzerland) (27.07.2023)
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Anti-Allergic and Anti-Inflammatory Effects of Lidocaine-Derived Organic Compounds in a House Dust Mite-Induced Allergic Rhinitis Mouse Model
Shin, Seung-Heon, Ye, Mi-Kyung, Chae, Mi-Hyun, Geum, Sang-Yen, Aboraia, Ahmed S, Abdel-Aal, Abu-Baker M, Qayed, Wesam S, El-Wahab, Hend A A Abd, Abou-Ghadir, Ola F, Aboul-Fadl, Tarek
Published in Biomedicines (29.08.2024)
Published in Biomedicines (29.08.2024)
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Spectral, XRD, morphological, DFT, and molecular modeling investigations of newly prepared isatin Schiff base complexes
Moustafa, Bassant S., Omar, Mohamed M., Qayed, Wesam S., AbdEl‐Halim, Hanan F., Mohamed, Gehad G.
Published in Applied organometallic chemistry (01.08.2024)
Published in Applied organometallic chemistry (01.08.2024)
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Journal Article
Ionic liquid of ketoprofen-piperine modulates the pharmaceutical and therapeutic characters of ketoprofen
Hassan, Sara A., Gad, Sheryhan F., Abdu-Allah, Hajjaj H.M., Qayed, Wesam S., AbouElmagd, Sara A., Ibrahim, Elsayed A.
Published in International journal of pharmaceutics (25.05.2022)
Published in International journal of pharmaceutics (25.05.2022)
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Journal Article
Phytochemical investigation, molecular docking studies and DFT calculations on the antidiabetic and cytotoxic activities of Gmelina philippensis CHAM
Sayed, Hanaa M., Ahmed, Amany S., Khallaf, Iman SA, Qayed, Wesam S., Mohammed, Anber F., Farghaly, Hanan S.M., Asem, Ayman
Published in Journal of ethnopharmacology (01.03.2023)
Published in Journal of ethnopharmacology (01.03.2023)
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Computational Design of Azine-Linked Hybrids of 2-Indolinone-Thiazolodine Scaffold as Novel and Promising Quorum Sensing Inhibitors
Qayed, Wesam S., Hassan, Mostafa A., Abouwarda, Ahmed Megahed, Ibrahim, Yasser Musa, Aboul-Fadl, Tarek
Published in Polycyclic aromatic compounds (02.01.2024)
Published in Polycyclic aromatic compounds (02.01.2024)
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Journal Article
Novel Azine Linked Hybrids of 2-Indolinone and Thiazolodinone Scaffolds as CDK2 Inhibitors with Potential Anticancer Activity: In Silico Design, Synthesis, Biological, Molecular Dynamics and Binding Free Energy Studies
Qayed, Wesam S., Hassan, Mostafa A., El-Sayed, Wael M., Rogério A. Silva, José, Aboul-Fadl, Tarek
Published in Bioorganic chemistry (01.09.2022)
Published in Bioorganic chemistry (01.09.2022)
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Journal Article
Design and synthesis of novel isatin-based derivatives targeting cell cycle checkpoint pathways as potential anticancer agents
Yousef, Mohamed A., Ali, Ahmed M., El-Sayed, Wael M., Qayed, Wesam S., Farag, Hassan H.A., Aboul-Fadl, Tarek
Published in Bioorganic chemistry (01.12.2020)
Published in Bioorganic chemistry (01.12.2020)
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Synthesis, biological evaluation, and molecular modeling studies of acetophenones‐tethered 1,2,4‐triazoles and their oximes as epidermal growth factor receptor inhibitors
El‐Wahab, Hend A. A. Abd, Ali, Ahmed M., Abdel‐Rahman, Hamdy M., Qayed, Wesam S.
Published in Chemical biology & drug design (01.12.2022)
Published in Chemical biology & drug design (01.12.2022)
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Journal Article
Corrigendum to “Design and synthesis of novel isatin-based derivatives targeting cell cycle checkpoint pathways as potential anticancer agents” [Bioorg. Chem. 105 (2020) 104366]
Yousef, Mohamed A., Ali, Ahmed M., El-Sayed, Wael M., Qayed, Wesam S., Farag, Hassan H.A., Aboul-Fadl, Tarek
Published in Bioorganic chemistry (01.03.2022)
Published in Bioorganic chemistry (01.03.2022)
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Journal Article
Crystal structure and quantum chemical calculations of (E)1‐benzyl‐3‐((4‐methoxyphenyl)imino)‐5‐methylindolin‐2‐one
Abdel El‐wahab, Hend A. A., Hamdy, Ahmed K., Schulzke, Carola, Aboul‐Fadl, Tarek, Qayed, Wesam S.
Published in Journal of heterocyclic chemistry (01.08.2021)
Published in Journal of heterocyclic chemistry (01.08.2021)
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Journal Article