Browsing by Author "Abou-Seri, Sahar M"

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Comparative Study of the Synthetic Approaches and Biological Activities of the Bioisosteres of 1,3,4-Oxadiazoles and 1,3,4-Thiadiazoles over the Past Decade
(MDPI, 22/04/2022) El-Masry, Rana M; Kadry, Hanan H; Taher, Azza T; Abou-Seri, Sahar M
The bioisosteres of 1,3,4-oxadiazoles and 1,3,4-thiadiazoles are well-known pharma- cophores for many medicinally important drugs. Throughout the past 10 years, 1,3,4-oxa-/thiadiazole nuclei have been very attractive to researchers for drug design, synthesis, and the study of their potential activity towards a variety of diseases, including microbial and viral infections, cancer, diabetes, pain, and inflammation. This work is an up-to-date comparative study that identifies the differences between 1,3,4-thiadiazoles and 1,3,4-oxadiazoles concerning their methods of synthesis from different classes of starting compounds under various reaction conditions, as well as their biological activities and structure–activity relationship.
New 5-Aryl-1,3,4-Thiadiazole-Based Anticancer Agents: Design, Synthesis, In Vitro Biological Evaluation and In Vivo Radioactive Tracing Studies
(Multidisciplinary Digital Publishing Institute (MDPI), 2022-11) El-Masry, Rana M; Essa, Basma M; Selim, Adli A; El-Emam, Soad Z; Mohamed, Khaled O; Sakr, Tamer M; Kadry, Hanan H; Taher, Azza T; Abou-Seri, Sahar M
A new series of 5-(4-chlorophenyl)-1,3,4-thiadiazole-based compounds featuring pyri- dinium (3), substituted piperazines (4a–g), benzyl piperidine (4i), and aryl aminothiazoles (5a–e) heterocycles were synthesized. Evaluation of the cytotoxicity potential of the new compounds against MCF-7 and HepG2 cancer cell lines indicated that compounds 4e and 4i displayed the highest activity toward the tested cancer cells. A selectivity study demonstrated the high selective cytotoxicity of 4e and 4i towards cancerous cells over normal mammalian Vero cells. Cell cycle analysis revealed that treatment with either compound 4e or 4i induced cell cycle arrest at the S and G2/M phases in HepG2 and MCF-7 cells, respectively. Moreover, the significant increase in the Bax/Bcl-2 ratio and caspase 9 levels in HepG2 and MCF-7 cells treated with either 4e or 4i indicated that their cytotoxic effect is attributed to the ability to induce apoptotic cell death. Finally, an in vivo radioactive tracing study of compound 4i proved its targeting ability to sarcoma cells in a tumor-bearing mice model.
Newly synthesized series of oxoindole–oxadiazole conjugates as potential anti-SARS-CoV-2 agents: in silico and in vitro studies
(Royal society of chemistry, 04/02/2022) El-Masry, Rana M; Al-Karmalawy, Ahmed A; Alnajjar, Radwan; Mahmoud, Sara H; Mostafa, Ahmed; Kadry, Hanan H; Abou-Seri, Sahar M; Taher, Azza T
In this study, a series of 1,3,4-oxadiazoles carrying the isatin moiety (IVa–g) as anti-SARS-CoV-2 agents were designed and synthesized. Molecular docking of the compounds (IVa–g) into the SARS-CoV-2 Mpro active site showed promising binding affinities. The docking results were supported using molecular dynamics simulations and MM-GBSA calculations as well. To validate the in silico predictions, all compounds were evaluated for their half-maximal cytotoxicity (CC50) and virus-inhibitory (IC50) concentrations. The CC50 concentrations were remarkably high for most of the tested compounds. However, compounds IVe and IVg showed high activity against SARS-CoV-2 at IC50 values of 13.84 μM and 4.63 μM, with selectivity indices of 4.1 and 5.9, respectively. The most potent antiviral agent IVg demonstrated an IC50 of 16.6 μM against SARS-CoV-2 Mpro, which is considered a moderate activity. However, the represented cellular antiviral activity of IVg could justify further optimization to develop this series of compounds as broad-spectrum anti-SARS-CoV-2 agents.