Zobrazeno 1 - 10
of 78
pro vyhledávání: '"Pietro Vidossich"'
Autor:
Ilaria Silvestri, Jacopo Manigrasso, Alessandro Andreani, Nicoletta Brindani, Caroline Mas, Jean-Baptiste Reiser, Pietro Vidossich, Gianfranco Martino, Andrew A. McCarthy, Marco De Vivo, Marco Marcia
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-15 (2024)
Abstract The self-splicing group II introns are bacterial and organellar ancestors of the nuclear spliceosome and retro-transposable elements of pharmacological and biotechnological importance. Integrating enzymatic, crystallographic, and simulation
Externí odkaz:
https://doaj.org/article/c7fe2568740c4dfbb4808801055111e5
Autor:
Yongxiang Zhao, Kasturi Roy, Pietro Vidossich, Laura Cancedda, Marco De Vivo, Biff Forbush, Erhu Cao
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-12 (2022)
Loop diuretics including bumetanide inhibit Na+-K+-Cl−-cotransporters (NKCCs) and are used for the treatment of edema and hypertension. Here, Zhao et. al. report structures of NKCC1 with bumetanide bound, revealing its mechanism of action that woul
Externí odkaz:
https://doaj.org/article/c70671527704467aae436624531f7bd8
Autor:
Andrés Ballesteros-Casallas, Margot Paulino, Pietro Vidossich, Carol Melo, Elizabeth Jiménez, Juan-Carlos Castillo, Jaime Portilla, Gian Pietro Miscione
Publikováno v:
European Journal of Medicinal Chemistry Reports, Vol 4, Iss , Pp 100028- (2022)
The pyrazolo[1,5-a]pyrimidine ring system constitutes a privileged scaffold for developing drug-like compounds, whose biologic activity is dictated by the nature and position of the substituents on the heterocyclic core. Herein, we report the synthes
Externí odkaz:
https://doaj.org/article/44363a94e8554902b76e0177ce9f0505
Autor:
Jacopo Manigrasso, Isabel Chillón, Vito Genna, Pietro Vidossich, Srinivas Somarowthu, Anna Marie Pyle, Marco De Vivo, Marco Marcia
Publikováno v:
Nature Communications, Vol 11, Iss 1, Pp 1-15 (2020)
Group II introns are self-splicing ribozymes. Here, the authors employ enzymatic assay, X-ray crystallography and molecular dynamics simulations to show that protonation of the group II intron catalytic triad plays an important role for the transitio
Externí odkaz:
https://doaj.org/article/a0ddbc7f74af45d393f62a1504d55452
Autor:
Nerith Rocio Elejalde-Cadena, Mayra García-Olave, David Figueroa, Pietro Vidossich, Gian Pietro Miscione, Jaime Portilla
Publikováno v:
Molecules, Vol 27, Iss 4, p 1165 (2022)
A pseudo-three-component synthesis of N-aroylmethylimidazoles 3 with three new C–N bonds formed regioselectively under microwave conditions was developed. Products were obtained by reacting two equivalents of aroylmethyl bromide (ArCOCH2Br, 1) with
Externí odkaz:
https://doaj.org/article/a1c3ab0480f34c8982eb084915481cd9
Autor:
Jacopo Manigrasso, Isabel Chillón, Vito Genna, Pietro Vidossich, Srinivas Somarowthu, Anna Marie Pyle, Marco De Vivo, Marco Marcia
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-1 (2022)
Externí odkaz:
https://doaj.org/article/169771c301a5493aa8fd7ddea74164b6
Publikováno v:
Biomolecules, Vol 4, Iss 3, Pp 616-645 (2014)
Mixed quantum-classical (quantum mechanical/molecular mechanical (QM/MM)) simulations have strongly contributed to providing insights into the understanding of several structural and mechanistic aspects of biological molecules. They played a particul
Externí odkaz:
https://doaj.org/article/f123c8bcb099410897b27669b2dc0e57
Publikováno v:
Journal of Chemical Information and Modeling. 63:1521-1528
Autor:
Maria Antonietta La Serra, Pietro Vidossich, Isabella Acquistapace, Anand K. Ganesan, Marco De Vivo
Publikováno v:
Journal of chemical information and modeling, vol 62, iss 12
Here, we show that alchemical free energy calculations can quantitatively compute the effect of mutations at the protein-protein interface. As a test case, we have used the protein complex formed by the small Rho-GTPase CDC42 and its downstream effec
Autor:
Siri C. van Keulen, Juliette Martin, Francesco Colizzi, Elisa Frezza, Daniel Trpevski, Nuria Cirauqui Diaz, Pietro Vidossich, Ursula Rothlisberger, Jeanette Hellgren Kotaleski, Rebecca C. Wade, Paolo Carloni
Publikováno v:
WIREs Computational Molecular Science. 13