Quinoxaline 1, 4-dioxides: advances in chemistry and chemotherapeutic drug development

GI Buravchenko, AE Shchekotikhin - Pharmaceuticals, 2023 - mdpi.com
N-Oxides of heterocyclic compounds are the focus of medical chemistry due to their diverse
biological properties. The high reactivity and tendency to undergo various rearrangements …

Nortopsentins as Leads from Marine Organisms for Anticancer and Anti-Inflammatory Agent Development

C Pecoraro, F Terrana, G Panzeca, B Parrino… - Molecules, 2023 - mdpi.com
The marine environment is an excellent source of molecules that have a wide structural
diversity and a variety of biological activities. Many marine natural products (MNPs) have …

Reprogramming energy metabolism with synthesized PDK inhibitors based on dichloroacetate derivatives and targeted delivery systems for enhanced cancer therapy

W She, T Liu, H Li, Z Wang, Z Guo… - Journal of Medicinal …, 2023 - ACS Publications
In many types of cancers, pyruvate dehydrogenase kinase (PDK) is abnormally
overexpressed and has become a promising target for cancer therapy. However, few highly …

Structural manipulations of marine natural products inspire a new library of 3-amino-1, 2, 4-triazine PDK inhibitors endowed with antitumor activity in pancreatic ductal …

D Carbone, M De Franco, C Pecoraro, D Bassani… - Marine Drugs, 2023 - mdpi.com
Pancreatic ductal adenocarcinoma (PDAC) is one of the main aggressive types of cancer,
characterized by late prognosis and drug resistance. Among the main factors sustaining …

1, 3, 4-Oxadiazole and 1, 3, 4-thiadiazole nortopsentin derivatives against pancreatic ductal adenocarcinoma: Synthesis, cytotoxic activity, and inhibition of CDK1

D Carbone, C Pecoraro, G Panzeca, G Xu… - Marine Drugs, 2023 - mdpi.com
A new series of nortopsentin analogs, in which the central imidazole ring of the natural lead
was replaced by a 1, 3, 4-oxadiazole or 1, 3, 4-thiadiazole moiety, was efficiently …

Targeting the pyruvate dehydrogenase complex/pyruvate dehydrogenase kinase (PDC/PDK) axis to discover potent PDK inhibitors through structure-based virtual …

L Gan, Y Yang, Z Liang, M Zhang, Y He… - European Journal of …, 2024 - Elsevier
Proliferating cancer cells are characterized by the Warburg effect, a metabolic alteration in
which ATP is generated from cytoplasmic glycolysis instead of oxidative phosphorylation …

Biological activity and computational analysis of novel acrylonitrile derived benzazoles as potent antiproliferative agents for pancreatic adenocarcinoma with …

A Beč, L Persoons, D Daelemans, K Starčević… - Bioorganic …, 2024 - Elsevier
Continuing our research into the anticancer properties of acrylonitriles, we present a study
involving the design, synthesis, computational analysis, and biological assessment of novel …

Another string to your bow: machine learning prediction of the pharmacokinetic properties of small molecules

D Bassani, NJ Parrott, N Manevski… - Expert Opinion on Drug …, 2024 - Taylor & Francis
Introduction Prediction of pharmacokinetic (PK) properties is crucial for drug discovery and
development. Machine-learning (ML) models, which use statistical pattern recognition to …

Driver Mutations in Pancreatic Cancer and Opportunities for Targeted Therapy

OT Olaoba, TI Adelusi, M Yang, T Maidens, ET Kimchi… - Cancers, 2024 - mdpi.com
Simple Summary Pancreatic cancer is highly resistant to therapies, and patients do not have
a high 5-year survival rate after diagnosis. The current standard of care therapy for …

Recent advances in pyruvate dehydrogenase kinase inhibitors: Structures, inhibitory mechanisms and biological activities

Y Li, Z Xie, X Lei, X Yang, S Huang, W Yuan, X Deng… - Bioorganic …, 2024 - Elsevier
Metabolism is reprogrammed in a variety of cancer cells to ensure their rapid proliferation.
Cancer cells prefer to utilize glycolysis to produce energy as well as to provide large …