Different Drug Mobilities in Hydrophobic Cavities of Host-Guest Complexes between β-Cyclodextrin and 5-Fluorouracil at Different Stoichiometries: A Molecular Dynamics Study in Water.

Autor: Raffaini G; Department of Chemistry, Materials, and Chemical Engineering 'Giulio Natta', Politecnico di Milano, Piazza L. Da Vinci 32, 20131 Milano, Italy.; INSTM, National Consortium of Materials Science and Technology, Local Unit Politecnico di Milano, 50121 Milano, Italy., Elli S; Istituto di Ricerche Chimiche e Biochimiche 'G. Ronzoni', Via Giuseppe Colombo 81, 20133 Milano, Italy., Catauro M; Department of Engineering, University of Campania 'Luigi Vanvitelli', Via Roma 29, 81031 Aversa, Italy., D'Angelo A; Department of Engineering, University of Campania 'Luigi Vanvitelli', Via Roma 29, 81031 Aversa, Italy.

Publikováno v: International journal of molecular sciences [Int J Mol Sci] 2024 May 28; Vol. 25 (11). Date of Electronic Publication: 2024 May 28.

Molecular modeling and phylogenetic analyses highlight the role of amino acid 347 of the N1 subtype neuraminidase in influenza virus host range and interspecies adaptation.

Autor: Elli S; Istituto di Ricerche Chimiche e Biochimiche 'G. Ronzoni', Milan, Italy., Raffaini G; Department of Chemistry, Materials, and Chemical Engineering 'Giulio Natta', Politecnico di Milano, Milan, Italy., Guerrini M; Istituto di Ricerche Chimiche e Biochimiche 'G. Ronzoni', Milan, Italy., Kosakovsky Pond S; Institute for Genomics and Evolutionary Medicine, Temple University, Philadelphia, PA, United States., Matrosovich M; Institute of Virology, Philipps University, Marburg, Germany.

Publikováno v: Frontiers in microbiology [Front Microbiol] 2023 Dec 19; Vol. 14, pp. 1309156. Date of Electronic Publication: 2023 Dec 19 (Print Publication: 2023).

Adsorption and Self-Aggregation of Chiral [5]-Aza[6]helicenes on DNA Architecture: A Molecular Dynamics Study.

Autor: Raffaini G; Department of Chemistry, Materials, and Chemical Engineering 'Giulio Natta', Politecnico di Milano, Piazza L. Da Vinci 32, 20131 Milano, Italy.; INSTM, National Consortium of Materials Science and Technology, Local Unit Politecnico di Milano, 20131 Milano, Italy.

Publikováno v: The journal of physical chemistry. B [J Phys Chem B] 2023 Oct 05; Vol. 127 (39), pp. 8285-8295. Date of Electronic Publication: 2023 Sep 26.

L-Arginine-Derived Polyamidoamine Oligomers Bearing at Both Ends β-Cyclodextrin Units as pH-Sensitive Curcumin Carriers.

Autor: Treccani S; Dipartimento di Chimica, Università degli Studi di Milano, Via C. Golgi 19, 20133 Milano, Italy., Alongi J; Dipartimento di Chimica, Università degli Studi di Milano, Via C. Golgi 19, 20133 Milano, Italy., Manfredi A; Dipartimento di Chimica, Università degli Studi di Milano, Via C. Golgi 19, 20133 Milano, Italy., Ferruti P; Dipartimento di Chimica, Università degli Studi di Milano, Via C. Golgi 19, 20133 Milano, Italy., Cavalli R; Dipartimento di Scienza e Tecnologia del Farmaco, Università degli Studi di Torino, Via P. Giuria 9, 10125 Torino, Italy., Raffaini G; Dipartimento di Chimica, Materiali, e Ingegneria Chimica 'Giulio Natta', Politecnico di Milano, Piazza L. Da Vinci 32, 20131 Milano, Italy., Ranucci E; Dipartimento di Chimica, Università degli Studi di Milano, Via C. Golgi 19, 20133 Milano, Italy.

Publikováno v: Polymers [Polymers (Basel)] 2022 Aug 05; Vol. 14 (15). Date of Electronic Publication: 2022 Aug 05.

Surface Interactions between Ketoprofen and Silica-Based Biomaterials as Drug Delivery System Synthesized via Sol-Gel: A Molecular Dynamics Study.

Autor: Raffaini G; Department of Chemistry, Materials, and Chemical Engineering ''Giulio Natta'', Politecnico di Milano, Piazza L. Da Vinci 32, 20131 Milano, Italy., Catauro M; Department of Engineering, University of Campania 'Luigi Vanvitelli', Via Roma 29, 81031 Aversa, Italy.

Publikováno v: Materials (Basel, Switzerland) [Materials (Basel)] 2022 Apr 08; Vol. 15 (8). Date of Electronic Publication: 2022 Apr 08.