Issue 8, 2021

Integrated experimental/computational approaches to characterize the systems formed by vanadium with proteins and enzymes

Abstract

Decoding the interactions of transition metal complexes with proteins is still an open challenge in many fields, like biology and medicinal chemistry, or in the design of de novo enzymes, including artificial metalloenzymes. Instrumental techniques like X-ray crystallography or nuclear magnetic resonance can provide an atomistic description of the systems, although their application is often not trivial. In this review, we illustrate how the integrated approach based on spectrometric and spectroscopic techniques with multilevel molecular modelling allows characterization of metallodrug–protein adducts at the molecular level. A series of applications are described, focusing on potential vanadium drugs, with a final generalization to other metals. The data provide a major proof-of-concept of the power of coupled experimental and theoretical methods for the rational design of new metallodrugs as well as for guiding a large number of fields of bioinorganic chemistry.

Graphical abstract: Integrated experimental/computational approaches to characterize the systems formed by vanadium with proteins and enzymes

Article information

Article type
Review Article
Submitted
21 دسمبر 2020
Accepted
12 فرؤری 2021
First published
23 فرؤری 2021

Inorg. Chem. Front., 2021,8, 1951-1974

Integrated experimental/computational approaches to characterize the systems formed by vanadium with proteins and enzymes

G. Sciortino, J. Maréchal and E. Garribba, Inorg. Chem. Front., 2021, 8, 1951 DOI: 10.1039/D0QI01507E

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements