Samia A. Elseginy

National Research Centre — Egypt

Chemistry · Physical Sciences

16h-index825citations34works2.52yr avg
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Research Topics

Synthesis and biological activity(16), Computational Drug Discovery Methods(8), Cancer therapeutics and mechanisms(5), SARS-CoV-2 and COVID-19 Research(4), Microtubule and mitosis dynamics(4)

Publications34 total

Design, Synthesis, and Antimicrobial Evaluation of New Thiopyrimidine–Benzenesulfonamide Compounds
Molecules·2024· 5 citedOpen Access
Design, Synthesis, and Antimicrobial Evaluation of Some New Thiopyrimidin-Benzenesulfonamide Compounds
Preprints.org·2024Open Access
Identification, characterization and biological studies of kinesine spindle protein inhibitor, benzo[b][1,4]oxazine-6-carboxamide derivative, via 3D-pharmacophore virtual screening
Journal of Molecular Structure·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
Journal of Computer-Aided Molecular Design·2024· 5 citedOpen Access
Exploring binding mechanisms of omicron spike protein with dolutegravir and etravirine by molecular dynamics simulation, principal component analysis, and free binding energy calculations
Journal of Biomolecular Structure and Dynamics·2023· 2 cited
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
European Journal of Medicinal Chemistry·2023· 26 citedOpen Access
Anti-Alzheimer activity of new coumarin-based derivatives targeting acetylcholinesterase inhibition
RSC Advances·2023· 49 citedOpen Access
Identification and validation of novel microtubule suppressors with an imidazopyridine scaffold through structure-based virtual screening and docking
RSC Medicinal Chemistry·2022· 13 citedOpen Access
Pharmacophore-Based Virtual Screening and Molecular Dynamics Simulation for Identification of a Novel DNA Gyrase B Inhibitor with Benzoxazine Acetamide Scaffold
ACS Omega·2021· 28 citedOpen Access
Identification and Validation of Novel Microtubule Suppressors with an Imidazopyridine Scaffold through Structure-Based Virtual Screening and Docking
2021· 1 citedOpen Access
Virtual screening and structure-based 3D pharmacophore approach to identify small-molecule inhibitors of SARS-CoV-2 M<sup>pro</sup>
Journal of Biomolecular Structure and Dynamics·2021· 15 cited
Promising anti-SARS-CoV-2 drugs by effective dual targeting against the viral and host proteases
Bioorganic & Medicinal Chemistry Letters·2021· 34 citedOpen Access
New quinoxaline compounds as DPP-4 inhibitors and hypoglycemics: design, synthesis, computational and bio-distribution studies
RSC Advances·2021· 35 citedOpen Access
<i>In silico</i> analysis of SARS-CoV-2 papain-like protease potential inhibitors
RSC Advances·2021· 18 citedOpen Access
Virtual screening and structure-based 3D pharmacophore approach to identify small-molecule inhibitors of SARS-CoV-2 M<sup>pro</sup>
Figshare·2021Open Access
Design, Synthesis and Evaluation of New Bioactive Oxadiazole Derivatives as Anticancer Agents Targeting Bcl-2
International Journal of Molecular Sciences·2020· 16 citedOpen Access
Critical discovery and synthesis of novel antibacterial and resistance-modifying agents inspired by plant phytochemical defense mechanisms
Chemico-Biological Interactions·2020· 23 cited
Design, synthesis, and computational validation of novel compounds selectively targeting HER2-expressing breast cancer
Bioorganic & Medicinal Chemistry Letters·2020· 12 citedOpen Access
Selective inhibition of <i>Rhizopus</i> eumelanin biosynthesis by novel natural product scaffold-based designs caused significant inhibition of fungal pathogenesis
Biochemical Journal·2020· 16 citedOpen Access
Design and synthesis of new drugs inhibitors of Candida albicans hyphae and biofilm formation by upregulating the expression of TUP1 transcription repressor gene
European Journal of Pharmaceutical Sciences·2020· 18 citedOpen Access
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Frequent Co-authors

Manal M. Anwar(12), Somaia S. Abd El‐Karim(7), Rania Hamdy(7), Yasmin M. Syam(6), Rasha Z. Batran(5), Sameh S. M. Soliman(5), Mamdouh M. Ali(2), Neama A. Mohamed(2), Tamer Nasr(2), Dina H. Dawood(2), Kuljeet S. Gugnani(2), Alejandro N. Rondón-Ortiz(2), Noha I. Ziedan(2), Arwyn T. Jones(2), Andrew D. Westwell(2), Asmaa F. Kassem(2), Eman M. H. Abbas(2), Hanan F. Aly(2), Kawkab A. Ahmed(2), Wagdy K. B. Khalil(2)