Discovery of the 3-amino-1, 2, 4-triazine-based library as selective PDK1 inhibitors with therapeutic potential in highly aggressive pancreatic ductal adenocarcinoma
D Carbone, M De Franco, C Pecoraro… - International Journal of …, 2023 - mdpi.com
Pyruvate dehydrogenase kinases (PDKs) are serine/threonine kinases, that are directly
involved in altered cancer cell metabolism, resulting in cancer aggressiveness and …
involved in altered cancer cell metabolism, resulting in cancer aggressiveness and …
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 …
characterized by late prognosis and drug resistance. Among the main factors sustaining …
VirtuousPocketome: a computational tool for screening protein–ligand complexes to identify similar binding sites
Protein residues within binding pockets play a critical role in determining the range of
ligands that can interact with a protein, influencing its structure and function. Identifying …
ligands that can interact with a protein, influencing its structure and function. Identifying …
Molecular modeling unveils the effective interaction of B-RAF inhibitors with rare B-RAF insertion variants
MC Scaini, L Piccin, D Bassani, A Scapinello… - International Journal of …, 2023 - mdpi.com
The Food and Drug Administration (FDA) has approved MAPK inhibitors as a treatment for
melanoma patients carrying a mutation in codon V600 of the BRAF gene exclusively …
melanoma patients carrying a mutation in codon V600 of the BRAF gene exclusively …
“Dual Anta-Inhibitors” of the A2A Adenosine Receptor and Casein Kinase CK1delta: Synthesis, Biological Evaluation, and Molecular Modeling Studies
A Spinaci, M Buccioni, D Catarzi, C Cui, V Colotta… - Pharmaceuticals, 2023 - mdpi.com
Based on a screening of a chemical library of A2A adenosine receptor (AR) antagonists, a
series of di-and tri-substituted adenine derivatives were synthesized and tested for their …
series of di-and tri-substituted adenine derivatives were synthesized and tested for their …
“Dual Anta-Inhibitors” of the A2A Adenosine Receptor and Casein Kinase CK1delta: Synthesis, Biological Evaluation, and Molecular Modeling Studies
A Spinaci, M Buccioni, D Catarzi, C Cui… - …, 2023 - research.unipd.it
Based on a screening of a chemical library of A2A adenosine receptor (AR) antagonists, a
series of di-and tri-substituted adenine derivatives were synthesized and tested for their …
series of di-and tri-substituted adenine derivatives were synthesized and tested for their …
In Silico Insights Toward the Exploration of Adenosine Receptors Ligand Recognition
Adenosine receptors have been studied for many years now, their structures have been
resolved and many of the determinants for their interaction patterns have been highlighted …
resolved and many of the determinants for their interaction patterns have been highlighted …
Special Issue “GPCRs: Ligands and beyond 2022”
E Cione, MC Caroleo - Pharmaceuticals, 2022 - mdpi.com
The human genome encodes more than 800 different G protein-coupled receptors (GPCRs),
uncovering their importance in human physiology. These integral membrane proteins sense …
uncovering their importance in human physiology. These integral membrane proteins sense …