A novel combinatory treatment against a CDDP-resistant non-small cell lung cancer based on a Ruthenium(II)-cyclopentadienyl compound.

Autor: Salaroglio IC; Department of Oncology and Molecular Biotechnology Center 'Guido Tarone', University of Torino, piazza Nizza 44, 10126 Torino, Italy., Stefanova D; Medical University of Sofia, Faculty of Pharmacy, Department of Pharmacology, Pharmacotherapy and Toxicology, 2 Dunav Str., Sofia 1000, Bulgaria., Teixeira RG; Centro de Química Estrutural, Institute of Molecular Sciences and Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade de Lisboa, Campo Grande, Lisboa 1749-016, Portugal., Oliveira NFB; BioISI - Instituto de Biossistemas e Ciências Integrativas, Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade de Lisboa, Lisboa 1749-016, Portugal., Ahmed A; University of Siena, Department of Life Sciences, via Aldo Moro, 2, Siena 53100, Italy., Fusi F; University of Siena, Department of Biotechnologies, Chemistry and Pharmacy, via Aldo Moro 2, Siena 53100, Italy., Tzankova V; Medical University of Sofia, Faculty of Pharmacy, Department of Pharmacology, Pharmacotherapy and Toxicology, 2 Dunav Str., Sofia 1000, Bulgaria., Yordanov Y; Medical University of Sofia, Faculty of Pharmacy, Department of Pharmacology, Pharmacotherapy and Toxicology, 2 Dunav Str., Sofia 1000, Bulgaria., Machuqueiro M; BioISI - Instituto de Biossistemas e Ciências Integrativas, Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade de Lisboa, Lisboa 1749-016, Portugal., Saponara S; University of Siena, Department of Life Sciences, via Aldo Moro, 2, Siena 53100, Italy., Valente A; Centro de Química Estrutural, Institute of Molecular Sciences and Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade de Lisboa, Campo Grande, Lisboa 1749-016, Portugal. Electronic address: amvalente@ciencias.ulisboa.pt., Riganti C; Department of Oncology and Molecular Biotechnology Center 'Guido Tarone', University of Torino, piazza Nizza 44, 10126 Torino, Italy. Electronic address: chiara.riganti@unito.it.

Publikováno v: Pharmacological research [Pharmacol Res] 2024 Oct; Vol. 208, pp. 107353. Date of Electronic Publication: 2024 Aug 17.

Fighting Multidrug Resistance with Ruthenium-Cyclopentadienyl Compounds: Unveiling the Mechanism of P-gp Inhibition.

Autor: Teixeira RG; Centro de Química Estrutural, Institute of Molecular Sciences and Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade de Lisboa, Campo Grande, 1749-016 Lisboa, Portugal., Salaroglio IC; Department of Oncology, University of Torino, 10126 Torino, Italy., Oliveira NFB; BioISI: Biosystems and Integrative Sciences Institute, Faculdade de Ciências, Universidade de Lisboa, 1749-016 Lisboa, Portugal., Sequeira JGN; BioISI: Biosystems and Integrative Sciences Institute, Faculdade de Ciências, Universidade de Lisboa, 1749-016 Lisboa, Portugal., Fontrodona X; Departament de Química and Serveis Tècnics de Recerca, Universitat de Girona, C/M. Aurèlia Campmany, 69, E-17003 Girona, Spain., Romero I; Departament de Química and Serveis Tècnics de Recerca, Universitat de Girona, C/M. Aurèlia Campmany, 69, E-17003 Girona, Spain., Machuqueiro M; BioISI: Biosystems and Integrative Sciences Institute, Faculdade de Ciências, Universidade de Lisboa, 1749-016 Lisboa, Portugal., Tomaz AI; Centro de Química Estrutural, Institute of Molecular Sciences and Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade de Lisboa, Campo Grande, 1749-016 Lisboa, Portugal., Garcia MH; Centro de Química Estrutural, Institute of Molecular Sciences and Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade de Lisboa, Campo Grande, 1749-016 Lisboa, Portugal., Riganti C; Department of Oncology, University of Torino, 10126 Torino, Italy.; Molecular Biotechnology Center 'Guido Tarone', University of Torino, 10126 Torino, Italy., Valente A; Centro de Química Estrutural, Institute of Molecular Sciences and Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade de Lisboa, Campo Grande, 1749-016 Lisboa, Portugal.

Publikováno v: Journal of medicinal chemistry [J Med Chem] 2023 Oct 26; Vol. 66 (20), pp. 14080-14094. Date of Electronic Publication: 2023 Aug 24.

Histidine Protonation and Conformational Switching in Diphtheria Toxin Translocation Domain.

Autor: Rodnin MV; Department of Biochemistry and Molecular Biology, University of Kansas School of Medicine, Kansas City, KS 66160, USA., Vasques-Montes V; Department of Biochemistry and Molecular Biology, University of Kansas School of Medicine, Kansas City, KS 66160, USA., Kyrychenko A; Department of Biochemistry and Molecular Biology, University of Kansas School of Medicine, Kansas City, KS 66160, USA.; Institute of Chemistry and School of Chemistry, V. N. Karazin Kharkiv National University, 61022 Kharkiv, Ukraine., Oliveira NFB; Institute of Biosystems and Integrative Sciences, University of Lisbon, 1749-016 Lisbon, Portugal., Kashipathy MM; Protein Structure and X-ray Crystallography Laboratory, University of Kansas, Lawrence, KS 66047, USA., Battaile KP; NYX, New York Structural Biology Center, Upton, NY 10027, USA., Douglas J; COBRE Bio-NMR Laboratory, University of Kansas, Lawrence, KS 66045, USA., Lovell S; Protein Structure and X-ray Crystallography Laboratory, University of Kansas, Lawrence, KS 66047, USA., Machuqueiro M; Institute of Biosystems and Integrative Sciences, University of Lisbon, 1749-016 Lisbon, Portugal., Ladokhin AS; Department of Biochemistry and Molecular Biology, University of Kansas School of Medicine, Kansas City, KS 66160, USA.

Publikováno v: Toxins [Toxins (Basel)] 2023 Jun 25; Vol. 15 (7). Date of Electronic Publication: 2023 Jun 25.

Predicting stable binding modes from simulated dimers of the D76N mutant of β 2-microglobulin.

Autor: Oliveira NFB; BioISI - Biosystems & Integrative Sciences Institute, Faculty of Sciences, University of Lisboa, Campo Grande, C8 bdg, Lisboa 1749-016, Portugal.; Department of Chemistry and Biochemistry, Faculty of Sciences, University of Lisbon, Lisboa 1749-016, Portugal., Rodrigues FEP; BioISI - Biosystems & Integrative Sciences Institute, Faculty of Sciences, University of Lisboa, Campo Grande, C8 bdg, Lisboa 1749-016, Portugal.; Department of Chemistry and Biochemistry, Faculty of Sciences, University of Lisbon, Lisboa 1749-016, Portugal., Vitorino JNM; BioISI - Biosystems & Integrative Sciences Institute, Faculty of Sciences, University of Lisboa, Campo Grande, C8 bdg, Lisboa 1749-016, Portugal.; Department of Chemistry and Biochemistry, Faculty of Sciences, University of Lisbon, Lisboa 1749-016, Portugal., Loureiro RJS; BioISI - Biosystems & Integrative Sciences Institute, Faculty of Sciences, University of Lisboa, Campo Grande, C8 bdg, Lisboa 1749-016, Portugal., Faísca PFN; BioISI - Biosystems & Integrative Sciences Institute, Faculty of Sciences, University of Lisboa, Campo Grande, C8 bdg, Lisboa 1749-016, Portugal.; Department of Physics, Faculty of Sciences, University of Lisbon, Lisbon 1749-016, Portugal., Machuqueiro M; BioISI - Biosystems & Integrative Sciences Institute, Faculty of Sciences, University of Lisboa, Campo Grande, C8 bdg, Lisboa 1749-016, Portugal.; Department of Chemistry and Biochemistry, Faculty of Sciences, University of Lisbon, Lisboa 1749-016, Portugal.

Publikováno v: Computational and structural biotechnology journal [Comput Struct Biotechnol J] 2021 Sep 08; Vol. 19, pp. 5160-5169. Date of Electronic Publication: 2021 Sep 08 (Print Publication: 2021).

Improved GROMOS 54A7 Charge Sets for Phosphorylated Tyr, Ser, and Thr to Deal with pH-Dependent Binding Phenomena.

Autor: Oliveira NFB; BioISI-Biosystems & Integrative Sciences Institute, Faculty of Sciences, University of Lisboa, Campo Grande, C8 bdg, 1749-016 Lisboa, Portugal., Pires IDS; BioISI-Biosystems & Integrative Sciences Institute, Faculty of Sciences, University of Lisboa, Campo Grande, C8 bdg, 1749-016 Lisboa, Portugal., Machuqueiro M; BioISI-Biosystems & Integrative Sciences Institute, Faculty of Sciences, University of Lisboa, Campo Grande, C8 bdg, 1749-016 Lisboa, Portugal.

Publikováno v: Journal of chemical theory and computation [J Chem Theory Comput] 2020 Oct 13; Vol. 16 (10), pp. 6368-6376. Date of Electronic Publication: 2020 Aug 28.