Unlocking bacterial defense: Exploring the potent inhibition of NorA efflux pump by coumarin derivatives in Staphylococcus aureus.

Autor: Martin ALAR; Department of Physiology and Pharmacology, Federal University of Ceará - UFC, 60430-160, Fortaleza, Brazil; Department of Biological Chemistry, Regional University of Cariri - URCA. 63105-000, Crato, Brazil; School of Medicine, Medical Education Institute - IDOMED, 63048-080, Juazeiro do Norte, Brazil., Pereira RLS; Department of Biological Chemistry, Regional University of Cariri - URCA. 63105-000, Crato, Brazil., Rocha JE; Department of Biological Chemistry, Regional University of Cariri - URCA. 63105-000, Crato, Brazil., Farias PAM; School of Medicine, Medical Education Institute - IDOMED, 63048-080, Juazeiro do Norte, Brazil; CECAPE College, 63024-015, Juazeiro do Norte, Brazil., Freitas TS; Department of Biological Chemistry, Regional University of Cariri - URCA. 63105-000, Crato, Brazil., Caldas FRL; Departament of Chemistry, Institute of Science and Technology Education of Ceará - IFCE, 63047-040, Juazeiro do Norte, Brazil., Figueredo FG; Department of Biological Chemistry, Regional University of Cariri - URCA. 63105-000, Crato, Brazil; School of Medicine, Medical Education Institute - IDOMED, 63048-080, Juazeiro do Norte, Brazil., Sampaio NFL; Department of Biological Chemistry, Regional University of Cariri - URCA. 63105-000, Crato, Brazil; School of Medicine, Medical Education Institute - IDOMED, 63048-080, Juazeiro do Norte, Brazil., Oliveira-Tintino CDM; Department of Biological Chemistry, Regional University of Cariri - URCA. 63105-000, Crato, Brazil., Tintino SR; Department of Biological Chemistry, Regional University of Cariri - URCA. 63105-000, Crato, Brazil., da Hora GCA; Department of Chemistry, University of Utah, Salt Lake City, 84112, United States., Lima MCP; Department of Medicinal Chemistry, University of Utah, Salt Lake City, 84112, United States., de Menezes IRA; Department of Biological Chemistry, Regional University of Cariri - URCA. 63105-000, Crato, Brazil., Carvalho DT; School of Pharmacy, Federal University of Alfenas - UNIFAL, 37130-001, Alfenas, Brazil., Coutinho HDM; Department of Biological Chemistry, Regional University of Cariri - URCA. 63105-000, Crato, Brazil. Electronic address: hdmcoutinho@gmail.com., Fonteles MMF; Department of Physiology and Pharmacology, Federal University of Ceará - UFC, 60430-160, Fortaleza, Brazil.

Publikováno v: Microbial pathogenesis [Microb Pathog] 2024 May; Vol. 190, pp. 106608. Date of Electronic Publication: 2024 Mar 20.

tICA-Metadynamics for Identifying Slow Dynamics in Membrane Permeation.

Autor: Oh M; Department of Chemistry, University of Utah, 315 South 1400 East, Rm 2020, Salt Lake City, Utah 84112, United States., da Hora GCA; Department of Chemistry, University of Utah, 315 South 1400 East, Rm 2020, Salt Lake City, Utah 84112, United States., Swanson JMJ; Department of Chemistry, University of Utah, 315 South 1400 East, Rm 2020, Salt Lake City, Utah 84112, United States.

Publikováno v: Journal of chemical theory and computation [J Chem Theory Comput] 2023 Dec 12; Vol. 19 (23), pp. 8886-8900. Date of Electronic Publication: 2023 Nov 09.

Mycolactone A vs. B: Multiscale Simulations Reveal the Roles of Localization and Association in Isomer-Specific Toxicity.

Autor: Nguyen JDM; Department of Chemistry, University of Utah, Salt Lake City, UT 84112, USA., da Hora GCA; Department of Chemistry, University of Utah, Salt Lake City, UT 84112, USA., Swanson JMJ; Department of Chemistry, University of Utah, Salt Lake City, UT 84112, USA.

Publikováno v: Toxins [Toxins (Basel)] 2023 Aug 02; Vol. 15 (8). Date of Electronic Publication: 2023 Aug 02.

Can membrane composition traffic toxins? Mycolactone and preferential membrane interactions.

Autor: da Hora GCA; Department of Chemistry, University of Utah, Salt Lake City, Utah., Nguyen JDM; Department of Chemistry, University of Utah, Salt Lake City, Utah., Swanson JMJ; Department of Chemistry, University of Utah, Salt Lake City, Utah. Electronic address: j.swanson@utah.edu.

Publikováno v: Biophysical journal [Biophys J] 2022 Nov 15; Vol. 121 (22), pp. 4260-4270. Date of Electronic Publication: 2022 Oct 18.

Antimicrobial peptide induced colloidal transformations in bacteria-mimetic vesicles: Combining in silico tools and experimental methods.

Autor: Freire RVM; Department of Chemistry, University of Fribourg, Chemin Du Musée 9, 1700 Fribourg, Switzerland., Pillco-Valencia Y; Department of Fundamental Chemistry, Federal University of Pernambuco, Cidade Universitária, 50740-560 Recife, Brazil., da Hora GCA; Department of Fundamental Chemistry, Federal University of Pernambuco, Cidade Universitária, 50740-560 Recife, Brazil., Ramstedt M; Department of Chemistry, Umeå Center for Microbial Research, Umeå University, SE-901 87 Umeå, Sweden., Sandblad L; Department of Chemistry, Umeå Center for Microbial Research, Umeå University, SE-901 87 Umeå, Sweden., Soares TA; Department of Fundamental Chemistry, Federal University of Pernambuco, Cidade Universitária, 50740-560 Recife, Brazil., Salentinig S; Department of Chemistry, University of Fribourg, Chemin Du Musée 9, 1700 Fribourg, Switzerland. Electronic address: stefan.salentinig@unifr.ch.

Publikováno v: Journal of colloid and interface science [J Colloid Interface Sci] 2021 Aug 15; Vol. 596, pp. 352-363. Date of Electronic Publication: 2021 Mar 16.