Identification of Novel Cyanopyridones and Pyrido[2,3-d]pyrimidines as Anticancer Agents with Dual VEGFR-2/HER-2 Inhibitory Action: Synthesis, Biological …

T Al-Warhi, AAM Sallam, LR Hemeda, MA El Hassab… - Pharmaceuticals, 2022 - mdpi.com
In the current work, we designed and synthesized three families of non-fused and fused
compounds based on cyanopyridone: derivatives of 6-amino-1, 2-dihydropyridine-3, 5 …

Looking for SARS-coV-2 therapeutics through computational approaches

M Vincenzi, FA Mercurio… - Current Medicinal …, 2023 - ingentaconnect.com
Background: In the last few years, in silico tools, including drug repurposing coupled with
structure-based virtual screening, have been extensively employed to look for anti-COVID …

Discovery of new sulfonamide-tethered 2-aryl-4-anilinoquinazolines as the first-in-class dual carbonic anhydrase and EGFR inhibitors

WM Eldehna, ZM Elsayed, A Ammara… - International Journal of …, 2024 - Elsevier
In today's medical field, there is a growing trend of exploiting a single small molecule to
target two different molecular targets concurrently. This approach is proving to be highly …

Kinetic characterization of SARS-CoV-2 nsp13 ATPase activity and discovery of small-molecule inhibitors

AK Yazdi, P Pakarian, S Perveen, T Hajian… - ACS Infectious …, 2022 - ACS Publications
SARS-CoV-2 non-structural protein 13 (nsp13) is a highly conserved helicase and RNA 5′-
triphosphatase. It uses the energy derived from the hydrolysis of nucleoside triphosphates …

LC/MS analysis of Viscum cruciatum Sieber ex Boiss. Extract with anti-proliferative activity against MCF-7 cell line via G0/G1 cell cycle arrest: An in-silico and in-vitro …

F Abo-Elghiet, MH Ibrahim, MA El Hassab… - Journal of …, 2022 - Elsevier
Abstract Ethnopharmacological relevance Viscum cruciatum Sieb is a well-known medicinal
plant in Jordan containing various secondary metabolites. It has traditionally been used to …

Phthalimide‐tethered isatins as novel poly (ADP‐ribose) polymerase inhibitors: Design, synthesis, biological evaluations, and molecular modeling investigations

MA El Hassab, AAA El‐Hafeez, H Almahli… - Archiv der …, 2024 - Wiley Online Library
Humanity is currently facing various diseases with significant mortality rates, particularly
those associated with malignancies. Numerous enzymes and proteins have been identified …

Development of novel cyanopyridines as PIM-1 kinase inhibitors with potent anti-prostate cancer activity: Synthesis, biological evaluation, nanoparticles formulation …

MH Ibrahim, MF Harras, SK Mostafa, SM Mohyeldin… - Bioorganic …, 2022 - Elsevier
Recently, inhibition of PIM-1 enzyme is found as an effective route in the fight against
proliferation of cancer. Herein, new cyano pyridines that target PIM-1 kinase were designed …

Novel pyrrolopyrimidine derivatives: design, synthesis, molecular docking, molecular simulations and biological evaluations as antioxidant and anti-inflammatory …

AI Sayed, YE Mansour, MA Ali, O Aly… - Journal of Enzyme …, 2022 - Taylor & Francis
Current medical approaches to control the Covid-19 pandemic are either to directly target
the SARS-CoV-2 via innovate a defined drug and a safe vaccine or indirectly target the …

Docking and other computing tools in drug design against SARS-CoV-2

AV Sulimov, IS Ilin, AS Tashchilova… - SAR and QSAR in …, 2024 - Taylor & Francis
The use of computer simulation methods has become an indispensable component in
identifying drugs against the SARS-CoV-2 coronavirus. There is a huge body of literature on …

In Vivo and In Silico Investigation of the Anti-Obesity Effects of Lactiplantibacillus plantarum Combined with Chia Seeds, Green Tea, and Chitosan in Alleviating …

D Elebeedy, A Ghanem, A Saleh, MH Ibrahim… - International Journal of …, 2022 - mdpi.com
The increasing prevalence of obesity has become a demanding issue in both high-income
and low-income countries. Treating obesity is challenging as the treatment options have …