Results 11 to 20 of about 136,681 (216)

Computational peptidology approach to the study of the chemical reactivity and bioactivity properties of Aspergillipeptide D, a cyclopentapeptide of marine origin

Scientific Reports, 2022
Aspergillipeptide D is a cyclic pentapeptide isolated from the marine gorgonian Melitodes squamata-derived fungus Aspergillus sp. SCSIO 41501 that it has been shown to present moderate activity against herpes virus simplex type 1 (HSV-1).
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik   +2 more
doaj   +1 more source

In Silico Pharmacokinetics, ADMET Study and Conceptual DFT Analysis of Two Plant Cyclopeptides Isolated From Rosaceae as a Computational Peptidology Approach

Frontiers in Chemistry, 2021
This research presents the outcomes of a computational determination of the chemical reactivity and bioactivity properties of two plant cyclopeptides isolated from Rosaceae through the consideration of Computational Peptidology (CP), a protocol employed ...
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik   +2 more
doaj   +1 more source

Five Years of EVClub-From Journal Club to Worldwide Discussion Hub. [PDF]

J Extracell Vesicles
Journal of Extracellular Vesicles, Volume 14, Issue 12, December 2025.
Alique M, Driedonks TAP, Torrecilhas AC, Witwer KW.   +3 more
europepmc   +2 more sources

Digital Workflow for the Restoration of the Vertical Dimension of Occlusion Evaluated by 3D Stereophotogrammetry. [PDF]

J Esthet Restor Dent
ABSTRACT Objective To present a digital workflow approach for the full‐mouth rehabilitation of severely worn dentition and to evaluate the impact of vertical dimension of occlusion (VDO) rehabilitation on facial parameters assessed by 3D stereophotogrammetry throughout all treatment steps. Clinical Considerations Extensive tooth wear frequently demands
Benalcazar-Jalkh EB, de Carvalho LF, Zahoui A, Pucciarelli MGR, Soares S, Celestrino M, Bonfante EA.   +6 more
europepmc   +2 more sources

Development of a Novel Aedes aegypti Repellent: An Integrated Approach Combining In Silico and Bioassays. [PDF]

Chem Biodivers
OBP1 plays an essential role in the behavior response of Aedes aegypti. The computational approaches employed herein suggest a compound with repellency activity in the ZINC database, which was confirmed by bioassays. ABSTRACT Aedes aegypti is the most important vector of arboviruses, which are responsible for 3.9 billion cases worldwide.
de Araujo Neto MF, de Jesus Santos JR, de Oliveira ALPS, Vieira Gois AW, Santana Martins IB, Leite VBP, Alegre AFM, Magalhães Junior JT, Leite FHA.   +8 more
europepmc   +2 more sources

Desarrollo de Instrumentos Virtuales en Excel como Apoyo a la Enseñanza de la Metrología

Tecnología y Ciencia, 2020
La tecnología como medio para la mejora del proceso de enseñanza-aprendizaje, ya sea a través del contacto físico en el aula o laboratorio, o por medio de sistemas virtuales en línea, tiene una potencialidad altamente positiva, haciendo posible ...
Matías Waldino Orué, Juan Marcos Banegas, Edgardo Cámara   +2 more
doaj   +1 more source

Virtual Prospection of Marine Cyclopeptides as Therapeutics by Means of Conceptual DFT and Computational ADMET

Pharmaceuticals, 2022
Bioactive peptides are chemical compounds created through the covalent bonding of amino acids, known as amide or peptide bonds. Due to their unusual chemistry and various biological effects, marine bioactive peptides have garnered considerable research ...
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik   +2 more
doaj   +1 more source

Conceptual DFT as a chemoinformatics tool for the study of the Taltobulin anticancer peptide

BMC Research Notes, 2019
Objective A well-behaved model chemistry previously validated for the study of the chemical reactivity of peptides was considered for the calculation of the molecular properties and structure of the Taltobulin anticancer peptide.
Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik   +2 more
doaj   +1 more source

New Methods of Esterification of Nanodiamonds in Fighting Breast Cancer—A Density Functional Theory Approach

Molecules, 2017
The use of nanodiamonds as anticancer drug delivery vehicles has received much attention in recent years. In this theoretical paper, we propose using different esterification methods for nanodiamonds.
Linda-Lucila Landeros-Martinez, Daniel Glossman-Mitnik, Erasmo Orrantia-Borunda, Norma Flores-Holguín   +3 more
doaj   +1 more source

Una descripción del experimento de los Curie [PDF]

, 2014
Artículo en PDF de 9 páginas con ilustraciones a color. Material complementario al Laboratorio Curie publicado en el Museo Virtual de la Ciencia del CSIC.Describimos brevemente los antecedentes y el paradigma científico que rodearon las experiencias de ...
López Sancho, José María, Moreno Gómez, Esteban   +1 more
core   +2 more sources