Mostrando 10 resultados de: 47
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Investigacion Clinica (Venezuela)(8)
Biointerface Research in Applied Chemistry(5)
Journal of Solution Chemistry(5)
ACS Omega(2)
Bioorganic and Medicinal Chemistry(2)
Chemometric and chemoinformatic analyses of anabolic and androgenic activities of testosterone and dihydrotestosterone analogues
ArticleAbstract: Pbkp_redictive quantitative structure-activity relationship (QSAR) models of anabolic and androgenicPalabras claves:Anabolic and androgenic activities, Genetic Algorithm, QSAR model, Quantum and physicochemical molecular descriptor, Testosterone and dihydrotestosterone steroid analoguesAutores:Alvarado Y.J., Alvarez-Ginarte Y.M., Caldera-Luzardo J., Crespo-Otero R., García-De La Vega J.M., Montero-Cabrera L.A., Noheda-Marin P., Ruíz-García J.A., Yovani Marrero-PonceFuentes:googlescopusComparative analysis of crispr-cas systems in vibrio and photobacterium genomes of high influence in aquaculture production
ArticleAbstract: Clustered Regularly Interspaced Short Palindromic Repeats (CRISPRs), together with cas genes, constiPalabras claves:Aquaculture, Bioinformatic, CRISPR-CAS, Phagotherapy, VibrionaceaeAutores:Alvarado Y.J., Antequera L., Arcos D., Castro A., Centanaro P., Fernández-Materán F.V., González-Paz L.A., Joan Vera-Villalobos, José Luis Paz, Lossada C.A., Luis S. Moncayo, Parra A.E., Parra M.M., Pérez A.E., Romero F.Fuentes:scopusComparative study of SARS-CoV-2 infection in different cell types: Biophysical-computational approach to the role of potential receptors
ArticleAbstract: Cellular susceptibility to SARS-CoV-2 infection in the respiratory tract has been associated with thPalabras claves:Cell lines, Cell susceptibility, docking, Macromolecular crowding, Viral spikeAutores:Alvarado M.J., Alvarado Y.J., Fernando Javier Torres, González-Paz L.A., Hurtado-León M.L., Jeffreys L.N., Joan R. Vera V., Joan Vera-Villalobos, José Luis Paz, Loroño M.A., Lossada C.A.Fuentes:googlescopusComparative study of the interaction of ivermectin with proteins of interest associated with SARS-CoV-2: A computational and biophysical approach
ArticleAbstract: The SARS-CoV-2 pandemic has accelerated the study of existing drugs. The mixture of homologs calledPalabras claves:Avermectin, covid-19, Ivermectin, Molecular docking, Molecular dynamic, SARS-COV-2Autores:Alvarado Y.J., Fernández-Materán F.V., González-Paz L.A., Hurtado-León M.L., Jeffreys L.N., Joan R. Vera V., Joan Vera-Villalobos, José Luis Paz, Loroño M.A., Lossada C.A.Fuentes:googlescopusComparison of the molecular coupling of the PLX4032 drug and the RNP CRISPR/CPF1 biopharmaceitical targeted to the metastatic melanoma type BRAF-V600E
OtherAbstract:Palabras claves:Autores:Alvarado Y.J., Bastidas M., González-Paz L.A., Lossada C.A., Luis S. Moncayo, Parra M.M., Pérez A.E., Sierra C.Fuentes:scopusAtom-based 2D quadratic indices in drug discovery of novel tyrosinase inhibitors: Results of in silico studies supported by experimental results
ArticleAbstract: Herein we present results of QSAR studies of tyrosinase inhibitors employing one of the atom-based TPalabras claves:Atom-based quadratic indices, Diterpenoid alkaloid, LDA-Based QSAR Model, Ligand-based virtual screening, ToMoCoMD-CARDD softwareAutores:Alvarado Y.J., Ather A., Gerardo M. Casañola-Martin, Khan M.T.H., Rotondo R., Sultankhodzhaev M.N., Torrens F., Yovani Marrero-PonceFuentes:scopusBiological significance of the thermodynamic stability of crispr structures associated with unconventional functions
ArticleAbstract: The clustered regularly interspaced short palindromic repeats (CRISPR) are genetic sequences that coPalabras claves:CRISPR, MFE, transcriptionAutores:Alvarado Y.J., Fernández-Materán F.V., González-Paz L.A., Joan Vera-Villalobos, José Luis Paz, Lossada C.A., Luis S. Moncayo, Parra M.M., Pérez A.E., Portillo E., Romero F.Fuentes:scopusBiomedical importance of the thermodynamics of the crispr-cas system associated with quorum sensing and cystic fibrosis in pseudomonas aeruginosa
ArticleAbstract:Palabras claves:Autores:Alvarado Y.J., González-Paz L.A., Lossada C.A., Luis S. Moncayo, Montiel M., Parra M.M., Pérez A.E., Sierra C.Fuentes:scopusBond-based global and local (bond, group and bond-type) quadratic indices and their applications to computer-aided molecular design. 1. QSPR studies of diverse sets of organic chemicals
ArticleAbstract: The concept of atom-based quadratic indices is extended to a series of molecular descriptors (MDs) (Palabras claves:2-furylethylene, Alkyl-alcohol, edge-adjacency matrix, Non-Stochastic and Stochastic Bond-Based Quadratic Indices, octane isomers, Physicochemical property, QSPR model, QSPR study, Stochastic matrix, ToMoCoMD-CARDD softwareAutores:Alvarado Y.J., Rotondo R., Torrens F., Yovani Marrero-PonceFuentes:googlescopusA bioinformatics study of structural perturbation of 3CL-protease and the HR2-domain of SARS-CoV-2 induced by synergistic interaction with ivermectins
ArticleAbstract: The pandemic caused by SARS-CoV-2 forces drug research to combat it. Ivermectin, an FDA approved antPalabras claves:covid-19, Ivermectin, Molecular docking, molecular dynamics, SARS-COV-2Autores:Alvarado Y.J., González-Paz L.A., Joan R. Vera V., Joan Vera-Villalobos, José Luis Paz, Lossada C.A., Luis S. Moncayo, Pérez A.E., Portillo E., Romero F., San-Blas E.Fuentes:googlescopus