Inorganic Drugs as a Tool for Protein Structure Solving and Studies on Conformational Changes.

Autor: Tolbatov I; Institute of Chemical Research of Catalonia (ICIQ), The Barcelona Institute of Science and Technology, Avgda. Països Catalans, 16, 43007, Tarragona, Spain., Marrone A; Department of Pharmacy, University 'G. D'Annunzio' Chieti-Pescara, Via dei Vestini, 31, 66100, Chieti, Italy., Shepard W; Department PROXIMA2 A, Synchrotron SOLEIL, L'Orme des Merisiers, Saint-Aubin, BP 48, 91192, Gif-sur-Yvette, France., Chiaverini L; Department of Pharmacy, University of Pisa, Via Bonanno 6, 56126, Pisa, Italy., Upadhyay Kahaly M; ELI ALPS, ELI-HU Non-Profit Ltd, Wolfgang Sandner utca 3, 6728, Szeged, Hungary., La Mendola D; Department of Pharmacy, University of Pisa, Via Bonanno 6, 56126, Pisa, Italy., Marzo T; Department of Pharmacy, University of Pisa, Via Bonanno 6, 56126, Pisa, Italy., Ciccone L; Department of Pharmacy, University of Pisa, Via Bonanno 6, 56126, Pisa, Italy.; Department PROXIMA2 A, Synchrotron SOLEIL, L'Orme des Merisiers, Saint-Aubin, BP 48, 91192, Gif-sur-Yvette, France.
Jazyk: angličtina
Zdroj: Chemistry (Weinheim an der Bergstrasse, Germany) [Chemistry] 2023 Mar 16; Vol. 29 (16), pp. e202202937. Date of Electronic Publication: 2023 Jan 30.
DOI: 10.1002/chem.202202937
Abstrakt: Inorganic drugs are capable of tight interactions with proteins through coordination towards aminoacidic residues, and this feature is recognized as a key aspect for their pharmacological action. However, the "protein metalation process" is exploitable for solving the phase problem and structural resolution. In fact, the use of inorganic drugs bearing specific metal centers and ligands capable to drive the binding towards the desired portions of the protein target could represent a very intriguing and fruitful strategy. In this context, a theoretical approach may further contribute to solve protein structures and their refinement. Here, we delineate the main features of a reliable experimental-theoretical integrated approach, based on the use of metallodrugs, for protein structure solving.
(© 2022 Wiley-VCH GmbH.)
Databáze: MEDLINE
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