MD–ligand–receptor: a high-performance computing tool for characterizing ligand–receptor binding interactions in molecular dynamics trajectories

M Pieroni, F Madeddu, J Di Martino, M Arcieri… - International Journal of …, 2023 - mdpi.com
Molecular dynamics simulation is a widely employed computational technique for studying
the dynamic behavior of molecular systems over time. By simulating macromolecular …

Molecular docking and dynamics simulation revealed the potential inhibitory activity of new drugs against human topoisomerase I receptor

F Madeddu, J Di Martino, M Pieroni… - International Journal of …, 2022 - mdpi.com
Human Topoisomerase I (hTop1p) is a ubiquitous enzyme that relaxes supercoiled DNA
through a conserved mechanism involving transient breakage, rotation, and binding. Htop1p …

Lignin-Based Nanomaterials as Drug Delivery Vehicles: A Review

TI Aquib - Critical Reviews™ in Therapeutic Drug Carrier …, 2023 - dl.begellhouse.com
Over the past decade, lignin-based nanomaterials have astonishingly gained tremendous
popularity among researchers worldwide for utilization in various high-value added fields …

Exploring nanotechnology solutions for improved outcomes in gastrointestinal stromal tumors

S Gabellone, S Vanni, V Fausti, G Miserocchi… - Heliyon, 2024 - cell.com
Objectives Gastrointestinal stromal tumors, the most prevalent mesenchymal tumors (80%)
of the gastrointestinal tract, comprise less than 1% of all gastrointestinal neoplasms and …

Biosynthesis of novel ascorbic acid esters and their encapsulation in lignin nanoparticles as carriers and Stabilizing Systems

E Capecchi, D Piccinino, C Nascimben… - International Journal of …, 2023 - mdpi.com
A dual-target strategy was designed for the application of lignin nanoparticles in the lipase
mediated biosynthesis of novel 3-O-ethyl-L-ascorbyl-6-ferulate and 3-O-ethyl-L-ascorbyl-6 …

ROS generative black phosphorus-tamoxifen nanosheets for targeted endocrine-sonodynamic synergistic breast cancer therapy

J Wang, W Chen, W Du, H Zhang, M Ilmer… - International Journal …, 2023 - Taylor & Francis
Introduction Tamoxifen (TAM) has proven to be a therapeutic breakthrough to reduce
mortality and recurrence in estrogen receptor-positive (ER+) breast cancer patients …

[HTML][HTML] Differential Effects of Biomimetic Thymine Dimers and Corresponding Photo-Adducts in Primary Human Keratinocytes and Fibroblasts

R Monetta, D Campagna, V Bartolocci… - …, 2024 - pmc.ncbi.nlm.nih.gov
UVB radiation induces DNA damage generating several thymine photo-adducts (TDPs),
which can lead to mutations and cellular transformation. The DNA repair pathways preserve …

Molecular Dynamics Investigations of Human DNA-Topoisomerase I Interacting with Novel Dewar Valence Photo-Adducts: Insights into Inhibitory Activity

J Di Martino, M Arcieri, F Madeddu, M Pieroni… - International Journal of …, 2023 - mdpi.com
Chronic exposure to ultraviolet (UV) radiation is known to induce the formation of DNA photo-
adducts, including cyclobutane pyrimidine dimers (CPDs) and Dewar valence derivatives …

Co-delivery nanomicelles for potentiating TNBC immunotherapy by synergetically reshaping CAFs-mediated tumor stroma and reprogramming immunosuppressive …

Y Zhang, X Han, K Wang, D Liu, X Ding… - International Journal …, 2023 - Taylor & Francis
Purpose Immune checkpoint inhibitors (ICI) have received the most attention for triple
negative breast cancer (TNBC), while the response rate to ICI remains limited due to …

Lignin and Its Composites for Tissue Engineering

SH Shoushrah, A Alzagameem, J Bergrath, E Tobiasch… - 2023 - books.rsc.org
Tissue engineering (TE) is a branch of regenerative medicine that aims to restore and/or
improve tissue function. It is an interdisciplinary field that combines biological, chemical, and …