A5066321309- Iron Metabolism and Disorders
- Trace Elements in Health
- Plant Micronutrient Interactions and Effects
- Computational Drug Discovery Methods
- Hemoglobinopathies and Related Disorders
- Antimicrobial Peptides and Activities
- Gut microbiota and health
- Gastrointestinal motility and disorders
- Microbial Natural Products and Biosynthesis
- Lipid Membrane Structure and Behavior
- Insect Resistance and Genetics
- Beetle Biology and Toxicology Studies
- Protein Structure and Dynamics
- Clostridium difficile and Clostridium perfringens research
- Free Radicals and Antioxidants
- Analytical Chemistry and Chromatography
Bambino Gesù Children's Hospital
2021
Roma Tre University
2015-2020
European University of Rome
2016
Recently, LIBRA, a tool for active/ligand binding site prediction, was described. LIBRA's effectiveness comparable to similar state-of-the-art tools; however, its scoring scheme, output presentation, dependence on local resources and overall convenience were amenable improvements. To solve these issues, LIBRA-WA, web application based an improved LIBRA engine, has been developed, featuring novel scheme consistently improving performance, refined algorithm that can identify sites hosted at...
Butylated hydroxytoluene (BHT) is one of the most commonly used synthetic antioxidants in food, cosmetic, pharmaceutical and petrochemical products. BHT considered safe for human health; however, its widespread use together with potential toxicological effects have increased consumers concern about this food additive. In addition, estimated daily intake has been demonstrated to exceed recommended acceptable threshold. present work, using as a case study, usefulness computational techniques,...
A bacterial homologue of the human iron exporter ferroportin found in predatory Gram‐negative bacterium Bdellovibrio bacteriovorus has been investigated. Molecular modelling, expression recombinant form and binding transport assays demonstrate that B. (bdFpn) is indeed an orthologue ferroportin. Key residues corresponding to those essential for are conserved predicted be correctly clustered central cavity protein. Mutation these grossly affects ability bdFpn.
Abstract Cantharidin, a monoterpene isolated from the insect blister beetle, has long been used as medicinal agent in traditional Chinese medicine. Cantharidin inhibits subgroup of serine/threonine phosphatases, thus inducing cell growth inhibition and cytotoxicity. anticancer activity vitro, since it is able p53‐dependent apoptosis double‐strand breakage DNA cancer cells. Although toxicity cantharidin to gastrointestinal urinary tracts prevents its medical use, promising lead compound for...
Abstract Ferroportin (Fpn) is a membrane protein representing the major cellular iron exporter, essential for metal translocation from cells into plasma. Despite its pivotal role in human homeostasis, many questions on Fpn structure and biology remain unanswered. In this work, we present two novel more reliable structural models of (hFpn; inward-facing outward-facing conformations) obtained using as templates recently solved crystal structures bacterial homologue hFpn, Bdellovibrio...
Members of the major facilitator superfamily transporters (MFS) play an essential role in many physiological processes such as development, neurotransmission, and signaling. Aberrant functions MFS proteins are associated with several diseases, including cancer, schizophrenia, epilepsy, amyotrophic lateral sclerosis Alzheimer's disease. also involved multidrug resistance bacteria fungi. The structures most members, especially those members significant relevance, yet to be solved. lack...
Abstract Ferroportin, a membrane protein belonging to the major facilitator superfamily of transporters, is only vertebrate iron exporter known so far. Several ferroportin mutations lead so-called disease or type 4 hemochromatosis, characterized by two distinct accumulation phenotypes depending on whether mutation affects activity its degradation pathway. Through extensive molecular modeling analyses using structure all members as templates, multiple structural models in three...
Motivation Ferroportin (Fpn) is a membrane protein belonging to the Major Facilitator Superfamily of transporters. It only vertebrate iron exporter known so far. Several Fpn mutations lead so-called ‘ferroportin disease’ or type 4 haemochromatosis, characterized by two distinct accumulation phenotypes depending on whether affects protein’s activity its degradation pathway (1). Despite general agreement scientific community 12 transmembrane helices topology, no experimental data are available...
Motivation Ferroportin (Fpn) is a membrane protein belonging to the Major Facilitator Superfamily of transporters. It only vertebrate iron exporter known so far. Several Fpn mutations lead so-called ‘ferroportin disease’ or type 4 haemochromatosis, characterized by two distinct accumulation phenotypes depending on whether affects protein’s activity its degradation pathway (1). Despite general agreement scientific community 12 transmembrane helices topology, no experimental data are available...