Search Results - "Tuccinardi, Tiziano"
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The History of Nanoscience and Nanotechnology: From Chemical-Physical Applications to Nanomedicine
Published in Molecules (Basel, Switzerland) (27-12-2019)“…Nanoscience breakthroughs in almost every field of science and nanotechnologies make life easier in this era. Nanoscience and nanotechnology represent an…”
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Application of MM-PBSA Methods in Virtual Screening
Published in Molecules (Basel, Switzerland) (23-04-2020)“…Computer-aided drug design techniques are today largely applied in medicinal chemistry. In particular, receptor-based virtual screening (VS) studies, in which…”
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Docking-based virtual screening: recent developments
Published in Combinatorial chemistry & high throughput screening (01-03-2009)“…Virtual (database) screening (VS) of molecules promises to accelerate the discovery of new drugs and reduce costs by identifying molecules with high…”
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The Benzoylpiperidine Fragment as a Privileged Structure in Medicinal Chemistry: A Comprehensive Review
Published in Molecules (Basel, Switzerland) (01-05-2024)“…The phenyl(piperidin-4-yl)methanone fragment (here referred to as the benzoylpiperidine fragment) is a privileged structure in the development of new drugs…”
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Recent Advances in In Silico Target Fishing
Published in Molecules (Basel, Switzerland) (24-08-2021)“…In silico target fishing, whose aim is to identify possible protein targets for a query molecule, is an emerging approach used in drug discovery due its wide…”
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Former foodstuff in mealworm farming: Effects on fatty acids profile, lipid metabolism and antioxidant molecules
Published in Food science & technology (01-07-2021)“…The capability of some insects to be reared on by-products, waste and former foodstuff make them a very promising response to the increasing request of…”
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Exosite inhibition of ADAMTS-5 by a glycoconjugated arylsulfonamide
Published in Scientific reports (13-01-2021)“…ADAMTS-5 is a major protease involved in the turnover of proteoglycans such as aggrecan and versican. Dysregulated aggrecanase activity of ADAMTS-5 has been…”
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Former Foodstuff Products in Tenebrio Molitor Rearing: Effects on Growth, Chemical Composition, Microbiological Load, and Antioxidant Status
Published in Animals (Basel) (25-07-2019)“…(mealworm) larvae represent one of the most interesting edible insects and could be reared on alternative feeds, such as former foodstuff products (FFPs). In…”
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VenomPred: A Machine Learning Based Platform for Molecular Toxicity Predictions
Published in International journal of molecular sciences (14-02-2022)“…The use of in silico toxicity prediction methods plays an important role in the selection of lead compounds and in ADMET studies since in vitro and in vivo…”
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Structural Optimization of 4‑Chlorobenzoylpiperidine Derivatives for the Development of Potent, Reversible, and Selective Monoacylglycerol Lipase (MAGL) Inhibitors
Published in Journal of medicinal chemistry (23-11-2016)“…Monoacylglycerol lipase (MAGL) inhibitors are considered potential therapeutic agents for a variety of pathological conditions, including several types of…”
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Sirtuin 1-Activating Compounds: Discovery of a Class of Thiazole-Based Derivatives
Published in Molecules (Basel, Switzerland) (01-10-2022)“…Sirtuin 1 (SIRT1) is a NAD+-dependent deacetylase implicated in various biological and pathological processes, including cancer, diabetes, and cardiovascular…”
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Editorial: Peptidyl-Prolyl Isomerases in Human Pathologies
Published in Frontiers in pharmacology (11-07-2019)Get full text
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13
Identification of New GSK3β Inhibitors through a Consensus Machine Learning-Based Virtual Screening
Published in International journal of molecular sciences (07-12-2023)“…Glycogen synthase kinase-3 beta (GSK3β) is a serine/threonine kinase that plays key roles in glycogen metabolism, Wnt/β-catenin signaling cascade, synaptic…”
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Extensive Reliability Evaluation of Docking-Based Target-Fishing Strategies
Published in International journal of molecular sciences (27-02-2019)“…The development of target-fishing approaches, aimed at identifying the possible protein targets of a small molecule, represents a hot topic in medicinal…”
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The Extra-Virgin Olive Oil Polyphenols Oleocanthal and Oleacein Counteract Inflammation-Related Gene and miRNA Expression in Adipocytes by Attenuating NF-κB Activation
Published in Nutrients (21-11-2019)“…Inflammation of the adipose tissue plays an important role in the development of several chronic diseases associated with obesity. Polyphenols of extra virgin…”
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Watermelon: setup and validation of an in silico fragment-based approach
Published in Journal of enzyme inhibition and medicinal chemistry (01-12-2024)“…We present a new computational approach, named , designed for the development of pharmacophore models based on receptor structures. The methodology involves…”
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The TRPA1 channel mediates the analgesic action of dipyrone and pyrazolone derivatives
Published in British journal of pharmacology (01-07-2015)“…Background and Purpose Although still used by hundreds of millions of people worldwide, the mechanism of the analgesic action of the pyrazolone derivatives…”
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Resveratrol Analogues as Dual Inhibitors of Monoamine Oxidase B and Carbonic Anhydrase VII: A New Multi-Target Combination for Neurodegenerative Diseases?
Published in Molecules (Basel, Switzerland) (13-11-2022)“…Neurodegenerative diseases (NDs) are described as multifactorial and progressive syndromes with compromised cognitive and behavioral functions. The…”
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SMS121, a new inhibitor of CD36, impairs fatty acid uptake and viability of acute myeloid leukemia
Published in Scientific reports (20-04-2024)“…Acute myeloid leukemia (AML) is the most common form of acute leukemia in adults and the second most common among children. AML is characterized by aberrant…”
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An in silico toolbox for the prediction of the potential pathogenic effects of missense mutations in the dimeric region of hRPE65
Published in Journal of enzyme inhibition and medicinal chemistry (01-12-2023)“…hRPE65 is a fundamental enzyme of the retinoid visual cycle, and many missense mutations affecting its expression or function are associated with a wide range…”
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