Sandra Gemma

发表

Structure-Based Design of Biologically Active Compounds

Sandra Gemma, 2020, Molecules.

Synthesis and structure-activity relationship studies in serotonin 5-HT(1A) receptor agonists based on fused pyrrolidone scaffolds.

Simone Brogi, Marco Lanza, Giuseppe Campiani, 2013, European journal of medicinal chemistry.

β-Secretase as a therapeutic target for Alzheimer’s disease

Arun K. Ghosh, Sandra Gemma, Jordan J. N. Tang, 2008, Neurotherapeutics.

Antimalarial agents against both sexual and asexual parasites stages: structure-activity relationships and biological studies of the Malaria Box compound 1-[5-(4-bromo-2-chlorophenyl)furan-2-yl]-N-[(piperidin-4-yl)methyl]methanamine (MMV019918) and analogues.

Silvia Parapini, Donatella Taramelli, Simone Brogi, 2018, European journal of medicinal chemistry.

Exploring clotrimazole-based pharmacophore: 3D-QSAR studies and synthesis of novel antiplasmodial agents.

Silvia Parapini, Nicoletta Basilico, Simone Brogi, 2015, Bioorganic & Medicinal Chemistry Letters.

Tacrine based human cholinesterase inhibitors: synthesis of peptidic-tethered derivatives and their effect on potency and selectivity.

Ettore Novellino, Giuseppe Campiani, Sandra Gemma, 2008, Bioorganic & medicinal chemistry letters.

Quinolylhydrazones as novel inhibitors of Plasmodium falciparum serine protease PfSUB1.

Simone Brogi, Ettore Novellino, Giuseppe Campiani, 2012, Bioorganic & medicinal chemistry letters.

Pyrrolo[1,3]benzothiazepine-based serotonin and dopamine receptor antagonists. Molecular modeling, further structure-activity relationship studies, and identification of novel atypical antipsychotic agents.

Caterina Fattorusso, Giuseppe Campiani, Alfredo Cagnotto, 2004, Journal of medicinal chemistry.

Rational design of the first difluorostatone-based PfSUB1 inhibitors.

Simone Brogi, Ettore Novellino, Giuseppe Campiani, 2014, Bioorganic & medicinal chemistry letters.

Disease‐Modifying Anti‐Alzheimer's Drugs: Inhibitors of Human Cholinesterases Interfering with β‐Amyloid Aggregation

Simone Brogi, Stefania Lamponi, Ettore Novellino, 2014, CNS neuroscience & therapeutics.

In silico study of subtilisin-like protease 1 (SUB1) from different Plasmodium species in complex with peptidyl-difluorostatones and characterization of potent pan-SUB1 inhibitors

Simone Brogi, Ettore Novellino, Giuseppe Campiani, 2016, Journal of molecular graphics & modelling.

Structure-based discovery of the first non-covalent inhibitors of Leishmania major tryparedoxin peroxidase by high throughput docking

Simone Brogi, Ettore Novellino, Giuseppe Campiani, 2015, Scientific Reports.

Novel spiroindoline HDAC inhibitors: Synthesis, molecular modelling and biological studies.

Christophe Romier, Simone Brogi, Lucia Altucci, 2018, European journal of medicinal chemistry.

Exploiting protein fluctuations at the active-site gorge of human cholinesterases: further optimization of the design strategy to develop extremely potent inhibitors.

Ettore Novellino, Marco Persico, Caterina Fattorusso, 2008, Journal of medicinal chemistry.

Structure-based Design of Drugs and Other Bioactive Molecules: Tools and Strategies

Arun K. Ghosh, Sandra Gemma, S. Gemma, 2014 .

Neuraminidase Inhibitors for the Treatment of Influenza: Design and Discovery of Zanamivir and Oseltamivir

Arun K. Ghosh, Sandra Gemma, S. Gemma, 2015 .

Development of molecular probes for the identification of extra interaction sites in the mid-gorge and peripheral sites of butyrylcholinesterase (BuChE). Rational design of novel, selective, and highly potent BuChE inhibitors.

Ettore Novellino, Marco Persico, Caterina Fattorusso, 2005, Journal of medicinal chemistry.

Computational Tool for Fast in silico Evaluation of hERG K+ Channel Affinity

Simone Brogi, Giulia Chemi, Giuseppe Campiani, 2017, Front. Chem..

( S)-2-Amino-3-(5-methyl-3-hydroxyisoxazol-4-yl)propanoic Acid (AMPA) and Kainate Receptor Ligands: Further Exploration of Bioisosteric Replacements and Structural and Biological Investigation.

Simone Brogi, Ettore Novellino, Mikko Gynther, 2018, Journal of medicinal chemistry.

Flexible cyclic ethers/polyethers as novel P2-ligands for HIV-1 protease inhibitors: design, synthesis, biological evaluation, and protein-ligand X-ray studies.

Irene T Weber, Yuan-Fang Wang, Arun K. Ghosh, 2008, Journal of medicinal chemistry.

A light in the dark: state of the art and perspectives in optogenetics and optopharmacology for restoring vision.

Simone Brogi, Giulia Chemi, Giuseppe Campiani, 2019, Future medicinal chemistry.

Identification of novel fluorescent probes preventing PrPSc replication in prion diseases.

Simone Brogi, Giuseppe Legname, Giulia Chemi, 2017, European journal of medicinal chemistry.

First dual AK/GSK-3β inhibitors endowed with antioxidant properties as multifunctional, potential neuroprotective agents.

Simone Brogi, Giulia Chemi, Giuseppe Campiani, 2017, European journal of medicinal chemistry.

Synthesis, Molecular Modelling and Biological Studies of 3-hydroxy-pyrane-4-one and 3-hydroxy-pyridine-4-one Derivatives as HIV-1 Integrase Inhibitors.

Zeger Debyser, Afshin Fassihi, Simone Brogi, 2018, Medicinal chemistry (Shariqah (United Arab Emirates)).

Discovery of huperzine A-tacrine hybrids as potent inhibitors of human cholinesterases targeting their midgorge recognition sites.

Ettore Novellino, Caterina Fattorusso, Giuseppe Campiani, 2006, Journal of medicinal chemistry.

Structural characterization of Giardia duodenalis thioredoxin reductase (gTrxR) and computational analysis of its interaction with NBDHEX.

Simone Brogi, Giulia Chemi, Giuseppe Campiani, 2017, European journal of medicinal chemistry.

Targeting clinically-relevant metallo-β-lactamases: from high-throughput docking to broad-spectrum inhibitors

Simone Brogi, Stefania Lamponi, Ettore Novellino, 2016, Journal of enzyme inhibition and medicinal chemistry.