A metadynamics perspective on the reduction mechanism of the Pt(IV) asplatin prodrug-Reference-Cited by-同舟云学术

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A metadynamics perspective on the reduction mechanism of the Pt(IV) asplatin prodrug

Published:2019-11-06 Issue:4 Volume:41 Page:290-294
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Ponte Fortuna¹^ORCID,Piccini GiovanniMaria²³,Sicilia Emilia¹^ORCID,Parrinello Michele²³⁴

Affiliation:

1. Dipartimento di Chimica e Tecnologie ChimicheUniversità della Calabria, Ponte P. Bucci, Cubo 14C Arcavacata di Rende 87030 Italy

2. Department of Chemistry and Applied BiosciencesETH Zurich, c/o USI Campus, Via Giuseppe Buffi 13 Lugano 6900 Switzerland

3. Facoltà di Informatica, Istituto di Scienze ComputazionaliUniversità della SvizzeraItaliana (USI), Via Giuseppe Buffi 13 Lugano 6900 Switzerland

4. Istituto Italiano di Tecnologia, Via Morego 30 Genova 16163 Italy

Funder

Università della Calabria

European Commission

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26100

Reference22 articles.

1. Insights from Computations on the Mechanism of Reduction by Ascorbic Acid of PtIV Prodrugs with Asplatin and Its Chlorido and Bromido Analogues as Model Systems

2. Interactions of Ascorbic Acid with Satraplatin and its trans Analog JM576: DFT Computational Study

3. A computational mechanistic investigation into the reduction of Pt(iv) prodrugs with two axial chlorides by biological reductants

4. Platinum(II) catalysis and radical intervention in reductions of platinum(IV) antitumor drugs by ascorbic acid

5. Insight into the Electrochemical Reduction Mechanism of Pt(IV) Anticancer Complexes

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2. Enhanced Sampling Simulations on Transition-Metal-Catalyzed Organic Reactions: Zirconocene-Catalyzed Propylene Polymerization and Sharpless Epoxidation;CCS Chemistry;2023-07-17

3. The current status in computational exploration of Pt(iv) prodrug activation by reduction;Physical Chemistry Chemical Physics;2023

4. Enhanced Sampling Simulation Reveals How Solvent Influences Chirogenesis of the Intra-Molecular Diels–Alder Reaction;Journal of Chemical Theory and Computation;2022-06-06

5. Synthesis, Characterization and Host-Guest Complexation of Asplatin: Improved In Vitro Cytotoxicity and Biocompatibility as Compared to Cisplatin;Pharmaceuticals;2022-02-21

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