Publications by authors named "Samia A Elseginy"

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Exploring binding mechanisms of omicron spike protein with dolutegravir and etravirine by molecular dynamics simulation, principal component analysis, and free binding energy calculations.
Samia A Elseginy

J Biomol Struct Dyn· March 2025

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Design, Synthesis, and Antimicrobial Evaluation of New Thiopyrimidine-Benzenesulfonamide Compounds.
Abdalrahman Khalifa, Manal M Anwar, Walaa A Alshareef, Eman A El-Gebaly, Samia A Elseginy

Molecules· October 2024

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Identifying and characterising promising small molecule inhibitors of kinesin spindle protein using ligand-based virtual screening, molecular docking, molecular dynamics and MM‑GBSA calculations.
Samia A Elseginy

J Comput Aided Mol Des· April 2024

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Discovery of novel benzofuran-based derivatives as acetylcholinesterase inhibitors for the treatment of Alzheimer's disease: Design, synthesis, biological evaluation, molecular docking and 3D-QSAR investigation.
Somaia S Abd El-Karim, Manal M Anwar, Nesreen S Ahmed, Yasmin M Syam, Samia A Elseginy

Eur J Med Chem· November 2023

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Anti-Alzheimer activity of new coumarin-based derivatives targeting acetylcholinesterase inhibition.
Nahla N Kamel, Hanan F Aly, Ghadha I Fouad, Somaia S Abd El-Karim, Manal M Anwar, Samia A Elseginy

RSC Adv· June 2023

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Virtual screening and structure-based 3D pharmacophore approach to identify small-molecule inhibitors of SARS-CoV-2 M.
Samia A Elseginy

J Biomol Struct Dyn· December 2022

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Identification and validation of novel microtubule suppressors with an imidazopyridine scaffold through structure-based virtual screening and docking.
Samia A Elseginy, A Sofia F Oliveira, Deborah K Shoemark, Richard B Sessions

RSC Med Chem· August 2022

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Pharmacophore-Based Virtual Screening and Molecular Dynamics Simulation for Identification of a Novel DNA Gyrase B Inhibitor with Benzoxazine Acetamide Scaffold.
Samia A Elseginy, Manal M Anwar

ACS Omega· January 2022

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analysis of SARS-CoV-2 papain-like protease potential inhibitors.
Samia A Elseginy, Manal M Anwar

RSC Adv· November 2021

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New quinoxaline compounds as DPP-4 inhibitors and hypoglycemics: design, synthesis, computational and bio-distribution studies.
Yasmin M Syam, Manal M Anwar, Somaia S Abd El-Karim, Samia A Elseginy, Basma M Essa

RSC Adv· November 2021

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Promising anti-SARS-CoV-2 drugs by effective dual targeting against the viral and host proteases.
Samia A Elseginy, Bahgat Fayed, Rania Hamdy, Noura Mahrous, Ahmed Mostafa

Bioorg Med Chem Lett· July 2021

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Critical discovery and synthesis of novel antibacterial and resistance-modifying agents inspired by plant phytochemical defense mechanisms.
Sameh S M Soliman, Balsam Qubais Saeed, Samia A Elseginy, Farah Al-Marzooq, Islam M Ahmady

Chem Biol Interact· January 2021

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Design, synthesis, and computational validation of novel compounds selectively targeting HER2-expressing breast cancer.
Samia A Elseginy, Rania Hamdy, Varsha Menon, Ahmed M Almehdi, Raafat El-Awady

Bioorg Med Chem Lett· December 2020

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Design, Synthesis and Evaluation of New Bioactive Oxadiazole Derivatives as Anticancer Agents Targeting Bcl-2.
Rania Hamdy, Samia A Elseginy, Noha I Ziedan, Mohamed El-Sadek, Elsaid Lashin

Int J Mol Sci· November 2020

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Selective inhibition of Rhizopus eumelanin biosynthesis by novel natural product scaffold-based designs caused significant inhibition of fungal pathogenesis.
Sameh S M Soliman, Rania Hamdy, Samia A Elseginy, Teclegiorgis Gebremariam, Alshaimaa M Hamoda

Biochem J· July 2020

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Design and synthesis of new drugs inhibitors of Candida albicans hyphae and biofilm formation by upregulating the expression of TUP1 transcription repressor gene.
Rania Hamdy, Sameh S M Soliman, Abrar I Alsaadi, Bahgat Fayed, Alshaimaa M Hamoda, Samia A Elseginy

Eur J Pharm Sci· May 2020

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Development of Promising Thiopyrimidine-Based Anti-cancer and Antimicrobial Agents: Synthesis and QSAR Analysis.
Yasmin M Syam, Manal M Anwar, Eman R Kotb, Samia A Elseginy, Hanem M Awad

Mini Rev Med Chem· November 2019

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Synthesis, anticancer effect and molecular modeling of new thiazolylpyrazolyl coumarin derivatives targeting VEGFR-2 kinase and inducing cell cycle arrest and apoptosis.
Tahia K Mohamed, Rasha Z Batran, Samia A Elseginy, Mamdouh M Ali, Abeer E Mahmoud

Bioorg Chem· April 2019

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New 4-phenylcoumarin derivatives as potent 3C protease inhibitors: Design, synthesis, anti-HAV effect and molecular modeling.
Asmaa F Kassem, Rasha Z Batran, Eman M H Abbas, Samia A Elseginy, Mohamed N F Shaheen

Eur J Med Chem· April 2019

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New Quinoline-Based Heterocycles as Anticancer Agents Targeting Bcl-2.
Rania Hamdy, Samia A Elseginy, Noha I Ziedan, Arwyn T Jones, Andrew D Westwell

Molecules· April 2019

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Design, Synthesis and Biological Evaluation of Spiro Cyclohexane-1,2- Quinazoline Derivatives as Potent Dipeptidyl Peptidase IV Inhibitors.
Yasmin M Syam, Somaia S Abd El-Karim, Tamer Nasr, Samia A Elseginy, Manal M Anwar

Mini Rev Med Chem· March 2019

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Design, synthesis and molecular modeling of new 4-phenylcoumarin derivatives as tubulin polymerization inhibitors targeting MCF-7 breast cancer cells.
Rasha Z Batran, Asmaa F Kassem, Eman M H Abbas, Samia A Elseginy, Marwa M Mounier

Bioorg Med Chem· July 2018

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Synthesis and molecular modeling of new benzimidazoles as glutathione S-transferase inhibitors and anticancer agents.
Somaia S Abd El-Karim, Manal M Anwar, Eman R Zaki, Samia A Elseginy, Zienab M Nofal

Future Med Chem· January 2018

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Coumarinyl pyranopyrimidines as new neuropeptide S receptor antagonists; design, synthesis, homology and molecular docking.
Rasha Z Batran, Dina H Dawood, Samia A El-Seginy, Timothy J Maher, Kuljeet S Gugnani

Bioorg Chem· December 2017

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New Coumarin Derivatives as Anti-Breast and Anti-Cervical Cancer Agents Targeting VEGFR-2 and p38α MAPK.
Rasha Z Batran, Dina H Dawood, Samia A El-Seginy, Mamdouh M Ali, Timothy J Maher

Arch Pharm (Weinheim)· September 2017

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