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Bioorganic and Medicinal Chemistry(2)
Biophysical Chemistry(1)
Computational Biology and Chemistry(1)
Frontiers in Physics(1)
Investigacion Clinica (Venezuela)(1)
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 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:scopusCan Non-steroidal Anti-inflammatory Drugs Affect the Interaction Between Receptor Binding Domain of SARS-COV-2 Spike and the Human ACE2 Receptor? A Computational Biophysical Study
ArticleAbstract: SARS-CoV-2 has caused millions of infections and more than 600,000 deaths worldwide. Despite the larPalabras claves:covid-19, Molecular docking, molecular dynamics, NSAIDS, SARS-COV-2Autores:Alvarado Y.J., Fernández-Materán F.V., González-Paz L.A., Joan Vera-Villalobos, José Luis Paz, Lossada C.A.Fuentes:scopusInteraction of the new inhibitor paxlovid (PF-07321332) and ivermectin with the monomer of the main protease SARS-CoV-2: A volumetric study based on molecular dynamics, elastic networks, classical thermodynamics and SPT
ArticleAbstract: The COVID-19 pandemic has accelerated the study of drugs, most notably ivermectin and more recentlyPalabras claves:ANM, covid-19, GNM, Volume fluctuation, Volume Molar, VoronoiAutores:Alvarado Y.J., Fernando Javier Torres, González-Paz L.A., Hurtado-León M.L., Jeffreys L.N., Joan Vera-Villalobos, José Luis Paz, Loroño M.A., Lossada C.A., Olivarez Y., Vera E., Vivas A.Fuentes:scopusPbkp_redicting antitrichomonal activity: A computational screening using atom-based bilinear indices and experimental proofs
ArticleAbstract: Existing Trichomonas vaginalis therapies are out of reach for most trichomoniasis people in developiPalabras claves:Atom-based bilinear index, Computational Screening, Cytostatic and cytocidal activity, LDA-Based QSAR Model, lead generation, ToMoCoMD-CARDD software, TrichomonacidalAutores:Alvarado Y.J., Arán V.J., García-Trevijano J.A.E., Garit J., Gómez-Barrio A., Ibarra-Velarde F., Machado-Tugores Y., Martínez-Fernández A.R., Meneses-Marcel A., Nogal-Ruiz J.J., Pereira D.M., Rotondo R., Torrens F., Yovani Marrero-PonceFuentes:googlescopus