Sfoglia per Autore
Designing Soluble PROTACs: Strategies and Preliminary Guidelines
2022-01-01 Diego García Jiménez; Matteo Rossi Sebastiano; Maura Vallaro; Valentina Mileo; Daniela Pizzirani; Elisa Moretti; Giuseppe Ermondi; Giulia Caron
Refinement of Computational Access to Molecular Physicochemical Properties: From Ro5 to bRo5
2022-01-01 Rossi Sebastiano, Matteo; Garcia Jimenez, Diego; Vallaro, Maura; Caron, Giulia; Ermondi, Giuseppe
AI-based protein structure databases have the potential to accelerate rare diseases research: AlphaFoldDB and the case of IAHSP/Alsin
2022-01-01 Rossi Sebastiano M.; Ermondi G.; Hadano S.; Caron G.
Personalized Treatment for Infantile Ascending Hereditary Spastic Paralysis Based on In Silico Strategies
2022-01-01 Rossi Sebastiano, Matteo; Ermondi, Giuseppe; Sato, Kai; Otomo, Asako; Hadano, Shinji; Caron, Giulia
Application of the anthraquinone drug rhein as an axial ligand in bifunctional Pt(IV) complexes to obtain antiproliferative agents against human glioblastoma cells
2022-01-01 Gabano, Elisabetta; Gariboldi, Marzia Bruna; Caron, Giulia; Ermondi, Giuseppe; Marras, Emanuela; Vallaro, Maura; Ravera, Mauro
Managing Experimental 3D Structures in the Beyond-Rule-of-5 Chemical Space: The Case of Rifampicin
2021-01-01 Ermondi, Giuseppe; Lavore, Francesca; Vallaro, Maura; Tiana, Guido; Vasile, Francesca; Caron, Giulia
Predicting the Permeability of Macrocycles from Conformational Sampling – Limitations of Molecular Flexibility
2021-01-01 Poongavanam V.; Atilaw Y.; Ye S.; Wieske L.H.E.; Erdelyi M.; Ermondi G.; Caron G.; Kihlberg J.
PROTACs and Building Blocks: The 2D Chemical Space in Very Early Drug Discovery
2021-01-01 Giuseppe Ermondi, Diego Garcia Jimenez, Giulia Caron
Characterization of the new CelerisTM Arginine column: Retentive behaviour through a combination of chemometric tools and potential in drug analysis
2021-01-01 Russo, Giacomo; Vallaro, Maura; Cappelli, Luca; Anderson, Scott; Ermondi, Giuseppe; Caron, Giulia
Rifampicin as an example of beyond-rule-of-5 compound: Ionization beyond water and lipophilicity beyond octanol/water
2021-01-01 Ermondi G.; Vallaro M.; Saame J.; Toom L.; Leito I.; Ruiz R.; Caron G.
Pt(iv) complexes based on cyclohexanediamines and the histone deacetylase inhibitor 2-(2-propynyl)octanoic acid: synthesis, characterization, cell penetration properties and antitumor activity
2021-01-01 Gabano E.; Rangone B.; Perin E.; Caron G.; Ermondi G.; Vallaro M.; Gandin V.; Marzano C.; Barbanente A.; Margiotta N.; Ravera M.
Steering New Drug Discovery Campaigns: Permeability, Solubility, and Physicochemical Properties in the bRo5 Chemical Space
2021-01-01 Caron G.; Kihlberg J.; Goetz G.; Ratkova E.; Poongavanam V.; Ermondi G.
IκBα targeting promotes oxidative stress-dependent cell death
2021-01-01 Carrà, Giovanna; Ermondi, Giuseppe; Riganti, Chiara; Righi, Luisella; Caron, Giulia; Menga, Alessio; Capelletto, Enrica; Maffeo, Beatrice; Lingua, Marcello Francesco; Fusella, Federica; Volante, Marco; Taulli, Riccardo; Guerrasio, Angelo; Novello, Silvia; Brancaccio, Mara; Piazza, Rocco; Morotti, Alessandro
Permeability prediction in the beyond-Rule-of 5 chemical space: Focus on cyclic hexapeptides
2021-01-01 Digiesi, Vito; de la Oliva Roque, Víctor; Vallaro, Maura; Caron, Giulia; Ermondi, Giuseppe
Rational Control of Molecular Properties Is Mandatory to Exploit the Potential of PROTACs as Oral Drugs
2021-01-01 Ermondi, Giuseppe; Garcia Jimenez, Diego; Rossi Sebastiano, Matteo; Caron, Giulia
Into the first biomimetic sphingomyelin stationary phase: Suitability in drugs’ biopharmaceutic profiling and block relevance analysis of selectivity
2021-01-01 Russo G.; Ermondi G.; Caron G.; Verzele D.; Lynen F.
Are we ready to design oral PROTACs®?
2021-01-01 Jimenez D.G.; Sebastiano M.R.; Caron G.; Ermondi G.
Flexibility in early drug discovery: focus on the beyond-Rule-of-5 chemical space
2020-01-01 Caron G.; Digiesi V.; Solaro S.; Ermondi G.
Updating the portfolio of physicochemical descriptors related to permeability in the beyond the rule of 5 chemical space
2020-01-01 Ermondi G.; Vallaro M.; Goetz G.; Shalaeva M.; Caron G.
Degraders early developability assessment: face-to-face with molecular properties
2020-01-01 Ermondi G.; Vallaro M.; Caron G.
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