Samia A. Elseginy

Green Chemistry Department
Cairo, C 12622, Egypt

Last Updated: 09/26/2026

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Found 25 publications

Design, Synthesis, and Antimicrobial Evaluation of New Thiopyrimidine-Benzenesulfonamide Compounds.

Design, Synthesis, and Antimicrobial Evaluation of New Thiopyrimidine-Benzenesulfonamide Compounds.

Journal: Molecules (Basel, Switzerland)

Published: August 25, 2024

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

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

Journal: Journal of computer-aided molecular design

Published: December 28, 2023

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

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

Journal: Journal of biomolecular structure & dynamics

Published: December 12, 2023

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.

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.

Journal: European journal of medicinal chemistry

Published: July 22, 2023

Anti-Alzheimer activity of new coumarin-based derivatives targeting acetylcholinesterase inhibition.

Anti-Alzheimer activity of new coumarin-based derivatives targeting acetylcholinesterase inhibition.

Journal: RSC advances

Published: April 09, 2023

Identification and validation of novel microtubule suppressors with an imidazopyridine scaffold through structure-based virtual screening and docking.

Identification and validation of novel microtubule suppressors with an imidazopyridine scaffold through structure-based virtual screening and docking.

Journal: RSC medicinal chemistry

Published: December 21, 2021

In silico analysis of SARS-CoV-2 papain-like protease potential inhibitors.

In silico analysis of SARS-CoV-2 papain-like protease potential inhibitors.

Journal: RSC advances

Published: October 23, 2021

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

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

Journal: Journal of biomolecular structure & dynamics

Published: October 22, 2021

New quinoxaline compounds as DPP-4 inhibitors and hypoglycemics: design, synthesis, computational and bio-distribution studies.

New quinoxaline compounds as DPP-4 inhibitors and hypoglycemics: design, synthesis, computational and bio-distribution studies.

Journal: RSC advances

Published: September 10, 2021

Promising anti-SARS-CoV-2 drugs by effective dual targeting against the viral and host proteases.

Promising anti-SARS-CoV-2 drugs by effective dual targeting against the viral and host proteases.

Journal: Bioorganic & medicinal chemistry letters

Published: February 17, 2021

Design, Synthesis and Evaluation of New Bioactive Oxadiazole Derivatives as Anticancer Agents Targeting Bcl-2.

Design, Synthesis and Evaluation of New Bioactive Oxadiazole Derivatives as Anticancer Agents Targeting Bcl-2.

Journal: International journal of molecular sciences

Published: October 23, 2020

Critical discovery and synthesis of novel antibacterial and resistance-modifying agents inspired by plant phytochemical defense mechanisms.

Critical discovery and synthesis of novel antibacterial and resistance-modifying agents inspired by plant phytochemical defense mechanisms.

Journal: Chemico-biological interactions

Published: September 10, 2020

Showing 1-12 of 25

Last Updated: 09/26/2026