[HTML][HTML] Synthesis of new organoselenium-based succinanilic and maleanilic derivatives and in silico studies as possible SARS-CoV-2 main protease inhibitors

S Shaaban, YS Al-Faiyz, GM Alsulaim, M Alaasar… - Inorganics, 2023 - mdpi.com
Herein we report the synthesis of organic selenide-based maleanilic and succinanilic acids
in good yields (up to 95%). Their structural identities were elucidated by spectroscopic …

Ligand-based design on the dog-bone-shaped BIBR1532 pharmacophoric features and synthesis of novel analogues as promising telomerase inhibitors with in vitro …

AA Al-Karmalawy, MS Nafie, MA Shaldam… - Journal of Medicinal …, 2022 - ACS Publications
Telomerase is an outstanding biological target for cancer treatment. BIBR1532 is a non-
nucleoside selective telomerase inhibitor; however, it experiences ineligible …

Synthesis, structural characterization, DFT calculations, molecular docking, and molecular dynamics simulations of a novel ferrocene derivative to unravel its potential …

MM Hammoud, M Khattab, M Abdel-Motaal… - Journal of …, 2023 - Taylor & Francis
In this article, we describe a set of subsequent five-steps chemical reactions to synthesize a
ferrocene derivative named 1-(5-(diphenylphosphaneyl) cyclopenta-1, 3-dien-1-yl) ethyl) …

[HTML][HTML] Anticoagulants as Potential SARS-CoV-2 Mpro Inhibitors for COVID-19 Patients: In Vitro, Molecular Docking, Molecular Dynamics, DFT, and SAR Studies

A Abo Elmaaty, WM Eldehna, M Khattab… - International Journal of …, 2022 - mdpi.com
In this article, 34 anticoagulant drugs were screened in silico against the main protease
(Mpro) of SARS-CoV-2 using molecular docking tools. Idraparinux, fondaparinux …

A novel role of Nano selenium and sildenafil on streptozotocin-induced diabetic nephropathy in rats by modulation of inflammatory, oxidative, and apoptotic pathways

MF El-Azab, AA Al-Karmalawy, SA Antar, PA Hanna… - Life sciences, 2022 - Elsevier
Aims The present study aimed to investigate the effect of nano selenium, sildenafil, and their
combination on inflammation, oxidative stress, and apoptosis in streptozotocin-induced …

Metformin ameliorates doxorubicin-induced cardiotoxicity targeting HMGB1/TLR4/NLRP3 signaling pathway in mice

AA Alzokaky, AA Al-Karmalawy, MA Saleh, W Abdo… - Life Sciences, 2023 - Elsevier
Aims Oxidative stress and inflammation have been linked to doxorubicin (DOX)-induced
cardiotoxicity, while the exact molecular processes are currently under investigation. The …

Ligand-based design, synthesis, computational insights, and in vitro studies of novel N-(5-Nitrothiazol-2-yl)-carboxamido derivatives as potent inhibitors of SARS …

M Elagawany, AA Elmaaty, A Mostafa… - Journal of Enzyme …, 2022 - Taylor & Francis
The global outbreak of the COVID-19 pandemic provokes scientists to make a prompt
development of new effective therapeutic interventions for the battle against SARS-CoV-2. A …

Design, synthesis, biological evaluation, and SAR studies of novel cyclopentaquinoline derivatives as DNA intercalators, topoisomerase II inhibitors, and apoptotic …

MM Hammoud, AS Nageeb, MA Morsi… - New Journal of …, 2022 - pubs.rsc.org
Herein, a new series of cyclopentaquinoline derivatives (6a–g) were designed and
synthesized based on the pharmacophoric features acquired by some reported DNA …

Rationale design of novel substituted 1, 3, 5-triazine candidates as dual IDH1 (R132H)/IDH2 (R140Q) inhibitors with high selectivity against acute myeloid leukemia …

HO Tawfik, MHA Mousa, MY Zaky, AM El-Dessouki… - Bioorganic …, 2024 - Elsevier
In this study, novel substituted 1, 3, 5-triazine candidates (4a-d, 5a-j, and 6a-d) were
designed as second-generation small molecules to act as dual IDH1 and IDH2 inhibitors …

Thieno[2,3-b]thiophene Derivatives as Potential EGFRWT and EGFRT790M Inhibitors with Antioxidant Activities: Microwave-Assisted Synthesis and Quantitative In …

SA Ahmed, MS Kamel, MO Aboelez, X Ma… - ACS …, 2022 - ACS Publications
Microwave-assisted synthesis and spectral analysis of certain novel derivatives of 3, 4-
diaminothieno [2, 3-b] thiophene-2, 5-dicarbonitrile 1–7 were carried out. Compounds 1–7 …