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1.
Computational assessment of the use of graphene-based nanosheets as PtII chemotherapeutics delivery systems.
J Comput Chem
; 2024 May 13.
Artículo
en Inglés
| MEDLINE | ID: mdl-38741357
2.
Ruthenium complexes bearing nile red chromophore and one of its derivative: Theoretical evaluation of PDT-related properties.
J Comput Chem
; 2024 May 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-38733370
3.
Computational Assessment of a Dual-Action Ru(II)-Based Complex: Photosensitizer in Photodynamic Therapy and Intercalating Agent for Inducing DNA Damage.
Inorg Chem
; 62(23): 8948-8959, 2023 Jun 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-37248070
4.
The current status in computational exploration of Pt(IV) prodrug activation by reduction.
Phys Chem Chem Phys
; 25(23): 15586-15599, 2023 Jun 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-37259840
5.
Does Twisted Molecular Structure Always Induce Intersystem Crossing? A Case Study with Near-IR Absorbing 1,8-Diazabicyclo[5.4.0]undec-7-ene-fused Naphthaldiimide.
J Phys Chem A
; 127(22): 4856-4866, 2023 Jun 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-37226449
6.
On the origin of photodynamic activity of hypericin and its iodine-containing derivatives.
J Comput Chem
; 43(30): 2037-2042, 2022 11 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-36129210
7.
Activation by Glutathione in Hypoxic Environment of an Azo-based Rhodamine Activatable Photosensitizer. A Computational Elucidation.
Chemistry
; 28(13): e202104083, 2022 Mar 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-35040535
8.
Computational Exploration of the Synergistic Anticancer Effect of a Multi-Action Ru(II)-Pt(IV) Conjugate.
Inorg Chem
; 61(32): 12903-12912, 2022 Aug 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-35900874
9.
Cytotoxicity of Alizarine versus Tetrabromocathecol Cyclometalated Pt(II) Theranostic Agents: A Combined Experimental and Computational Investigation.
Inorg Chem
; 61(18): 7188-7200, 2022 May 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-35467854
10.
Computational Analysis of the Behavior of BODIPY Decorated Monofunctional Platinum(II) Complexes in the Dark and under Light Irradiation.
J Phys Chem A
; 126(40): 7159-7167, 2022 Oct 13.
Artículo
en Inglés
| MEDLINE | ID: mdl-36194386
11.
Anticancer Activity, Reduction Mechanism and G-Quadruplex DNA Binding of a Redox-Activated Platinum(IV)-Salphen Complex.
Int J Mol Sci
; 23(24)2022 Dec 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-36555221
12.
Porphyrins and Metalloporphyrins Combined with N-Heterocyclic Carbene (NHC) Gold(I) Complexes for Photodynamic Therapy Application: What Is the Weight of the Heavy Atom Effect?
Molecules
; 27(13)2022 Jun 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-35807296
13.
How Computations Can Assist the Rational Design of Drugs for Photodynamic Therapy: Photosensitizing Activity Assessment of a Ru(II)-BODIPY Assembly.
Molecules
; 27(17)2022 Sep 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-36080406
14.
A combined Monte Carlo/DFT approach to simulate UV-vis spectra of molecules and aggregates: Merocyanine dyes as a case study.
J Comput Chem
; 42(15): 1054-1063, 2021 06 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-33797766
15.
Computational Analysis of Photophysical Properties and Reactivity of a New Phototherapeutic Cyclometalated Au(III)-Hydride Complex.
Chemistry
; 27(62): 15528-15535, 2021 Nov 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-34546592
16.
Anticancer Activity, DNA Binding, and Photodynamic Properties of a Nâ§Câ§N-Coordinated Pt(II) Complex.
Inorg Chem
; 60(14): 10350-10360, 2021 Jul 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-34170132
17.
A Boron-Containing Compound Acting on Multiple Targets Against Alzheimer's Disease. Insights from Ab Initio and Molecular Dynamics Simulations.
J Chem Inf Model
; 61(7): 3397-3410, 2021 07 26.
Artículo
en Inglés
| MEDLINE | ID: mdl-34253017
18.
Theoretical investigation on bisarylselanylbenzo-2,1,3-selenadiazoles as potential photosensitizers in photodynamic therapy.
J Chem Phys
; 154(8): 084113, 2021 Feb 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-33639755
19.
A Review on Coordination Properties of Al(III) and Fe(III) toward Natural Antioxidant Molecules: Experimental and Theoretical Insights.
Molecules
; 26(9)2021 Apr 29.
Artículo
en Inglés
| MEDLINE | ID: mdl-33946938
20.
Spin-Orbit Charge-Transfer Intersystem Crossing (ISC) in Compact Electron Donor-Acceptor Dyads: ISC Mechanism and Application as Novel and Potent Photodynamic Therapy Reagents.
Chemistry
; 26(5): 1091-1102, 2020 Jan 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-31743947