18 hasil untuk "Francesco Musiani"

Molecular Modelling of the Ni(II)-Responsive Synechocystis PCC 6803 Transcriptional Regulator InrS in the Metal Bound Form

Elia Barchi; Francesco Musiani

Inorganics, Vol. 7 No. 6 · 2019 · Inggris · DOAJ Scopus

InrS (internal nickel-responsive sensor) is a transcriptional regulator found in cyanobacteria that represses the transcription of the nickel exporter NrsD in the apo form and de-represses expression of the exporter upon Ni(II) binding. Although a crystal structure of apo-InrS from Synechocystis…

Evolution of Macromolecular Docking Techniques: The Case Study of Nickel and Iron Metabolism in Pathogenic Bacteria

Francesco Musiani; Stefano Ciurli

Molecules, Vol. 20 No. 8 · 2015 · Inggris · DOAJ Scopus

The interaction between macromolecules is a fundamental aspect of most biological processes. The computational techniques used to study protein-protein and protein-nucleic acid interactions have evolved in the last few years because of the development of new algorithms that allow the a priori…

The structure-based reaction mechanism of urease, a nickel dependent enzyme: tale of a long debate

Luca Mazzei; Francesco Musiani; Stefano Ciurli

JBIC Journal of Biological Inorganic Chemistry · 2020 · Inggris · OpenAlex Scopus

This review is an attempt to retrace the chronicle that starts from the discovery of the role of nickel as the essential metal ion in urease for the enzymatic catalysis of urea, a key step in the biogeochemical cycle of nitrogen on Earth, to the most recent progress in understanding the chemistry…

PacDOCK: A Web Server for Positional Distance-Based and Interaction-Based Analysis of Docking Results

Jacopo Carbone; Alessia Ghidini; Antonio Romano dkk.

Molecules, Vol. 27 No. 20 · 2022 · Inggris · DOAJ Scopus

Molecular docking is a key method for structure-based drug design used to predict the conformations assumed by small drug-like ligands when bound to their target. However, the evaluation of molecular docking studies can be hampered by the lack of a free and easy to use platform for the complete…

Determination and Kinetic Characterization of a New Potential Inhibitor for AmsI Protein Tyrosine Phosphatase from the Apple Pathogen Erwinia amylovora

Simone Albani; Ivan Polsinelli; Luca Mazzei dkk.

Molecules, Vol. 28 No. 23 · 2023 · Inggris · DOAJ Scopus

Erwinia amylovora is a Gram-negative bacterium, responsible for the fire blight disease in Rosaceae plants. Its virulence is correlated with the production of an exopolysaccharide (EPS) called amylovoran, which protects the bacterium from the surrounding environment and helps its diffusion inside…

Targeting the Protein Tunnels of the Urease Accessory Complex: A Theoretical Investigation

Matteo Masetti; Federico Falchi; Dario Gioia dkk.

Molecules, Vol. 25 No. 12 · 2020 · Inggris · DOAJ Scopus

Urease is a nickel-containing enzyme that is essential for the survival of several and often deadly pathogenic bacterial strains, including Helicobacter pylori. Notwithstanding several attempts, the development of direct urease inhibitors without side effects for the human host remains, to date…

GOMoDo: A GPCRs Online Modeling and Docking Webserver

Massimo Sandal; Tran Phuoc Duy; Matteo Cona dkk.

PLoS ONE, Vol. 8 No. 9 · 2013 · Inggris · PLOS Scopus

G-protein coupled receptors (GPCRs) are a superfamily of cell signaling membrane proteins that include >750 members in the human genome alone. They are the largest family of drug targets. The vast diversity and relevance of GPCRs contrasts with the paucity of structures available: only 21 unique…

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New Insights on Rotenone Resistance of Complex I Induced by the m.11778G>A/MT-ND4 Mutation Associated with Leber’s Hereditary Optic Neuropathy

Francesco Musiani; Laura Rigobello; Luisa Iommarini dkk.

Molecules, Vol. 27 No. 4 · 2022 · Inggris · DOAJ Scopus

The finding that the most common mitochondrial DNA mutation m.11778G>A/MT-ND4 (p.R340H) associated with Leber’s hereditary optic neuropathy (LHON) induces rotenone resistance has produced a long-standing debate, because it contrasts structural evidence showing that the ND4 subunit is far away from…

Conformational Equilibria in Monomeric α-Synuclein at the Single-Molecule Level

Massimo Sandal; Francesco Valle; Isabella Tessari dkk.

PLoS Biology, Vol. 6 No. 1 · 2008 · Inggris · PLOS Scopus

Human α-Synuclein (αSyn) is a natively unfolded protein whose aggregation into amyloid fibrils is involved in the pathology of Parkinson disease. A full comprehension of the structure and dynamics of early intermediates leading to the aggregated states is an unsolved problem of essential importance…

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Mathematical Modeling of Drug Release from Natural Polysaccharides Based Matrices

Gianluca Chiarappa; Michela Abrami; Barbara Dapas dkk.

Natural Product Communications, Vol. 12 · 2017 · Inggris · DOAJ Scopus

The new concept of personalized medicine and the affirmation of Nucleic Acid Based Drugs (NABDs), an emerging class of bio-drugs constituted by short sequences of either DNA or RNA, represent a new challenge for the mathematical modelling in the drug delivery and adsorption field. Indeed, whether…

Cloning the barley nec3 disease lesion mimic mutant using complementation by sequencing

Serena Rosignoli; Francesco Cosenza; Matthew J. Moscou dkk.

The Plant Genome, Vol. 15 No. 2 · 2022 · Inggris · DOAJ Scopus

Abstract Disease lesion mimic (DLM) or necrotic mutants display necrotic lesions in the absence of pathogen infections. They can show improved resistance to some pathogens and their molecular dissection can contribute to revealing components of plant defense pathways. Although forward‐genetics…

Combining Different Docking Engines and Consensus Strategies to Design and Validate Optimized Virtual Screening Protocols for the SARS-CoV-2 3CL Protease

Candida Manelfi; Jonas Gossen; Silvia Gervasoni dkk.

Molecules, Vol. 26 No. 4 · 2021 · Inggris · DOAJ Scopus

The 3CL-Protease appears to be a very promising medicinal target to develop anti-SARS-CoV-2 agents. The availability of resolved structures allows structure-based computational approaches to be carried out even though the lack of known inhibitors prevents a proper validation of the performed…

NDUFS3 knockout cancer cells and molecular docking reveal specificity and mode of action of anti-cancer respiratory complex I inhibitors

Ivana Kurelac; Beatrice Cavina; Manuela Sollazzo dkk.

Open Biology, Vol. 12 No. 11 · 2022 · Inggris · DOAJ Scopus

Inhibition of respiratory complex I (CI) is becoming a promising anti-cancer strategy, encouraging the design and the use of inhibitors, whose mechanism of action, efficacy and specificity remain elusive. As CI is a central player of cellular bioenergetics, a finely tuned dosing of targeting drugs…

Relevance of ARID1A Mutations in Endometrial Carcinomas

Antonio De Leo; Gloria Ravegnini; Francesco Musiani dkk.

Diagnostics, Vol. 12 No. 3 · 2022 · Inggris · DOAJ Scopus

Since the Cancer Genome Atlas (TCGA) project identified four distinct groups based on molecular alterations, mutation analyses have been integrated into the characterization of endometrial carcinomas (ECs). ARID1A seems to be the subunit more involved in the loss of function of the SWI/SNF complex…

Modelling eNvironment for Isoforms (MoNvIso): A general platform to predict structural determinants of protein isoforms in genetic diseases

Francesco Oliva; Francesco Musiani; Alejandro Giorgetti dkk.

Frontiers in Chemistry, Vol. 10 · 2023 · Inggris · DOAJ Scopus

The seamless integration of human disease-related mutation data into protein structures is an essential component of any attempt to correctly assess the impact of the mutation. The key step preliminary to any structural modelling is the identification of the isoforms onto which mutations should be…

Polymer-Mediated Delivery of siRNAs to Hepatocellular Carcinoma: Variables Affecting Specificity and Effectiveness

Rossella Farra; Francesco Musiani; Francesca Perrone dkk.

Molecules, Vol. 23 No. 4 · 2018 · Inggris · DOAJ Scopus

Despite the advances in anticancer therapies, their effectiveness for many human tumors is still far from being optimal. Significant improvements in treatment efficacy can come from the enhancement of drug specificity. This goal may be achieved by combining the use of therapeutic molecules with…