Mostrando 10 resultados de: 22
Publisher
Current Pharmaceutical Design(2)
Drug Discovery Today(2)
Journal of Chemistry(2)
ACS Omega(1)
Annual Reports in Medicinal Chemistry(1)
Área temáticas
Farmacología y terapéutica(8)
Química orgánica(4)
Bioquímica(3)
Ciencias de la computación(3)
Enfermedades(3)
Área de conocimiento
Farmacología(7)
Bioquímica(6)
Descubrimiento de fármacos(6)
Cáncer(4)
Simulación por computadora(4)
Objetivos de Desarrollo Sostenible
ODS 3: Salud y bienestar(22)
ODS 9: Industria, innovación e infraestructura(21)
ODS 15: Vida de ecosistemas terrestres(1)
3,5-Dinitrobenzoate and 3,5-Dinitrobenzamide Derivatives: Mechanistic, Antifungal, and in Silico Studies
ArticleAbstract: Fungal infections, including those caused by Candida spp., are recognized in immunocompromised indivPalabras claves:Autores:Andrade P.N., De Castro R.D., Duarte A.B.S., Sousa D.P.D., Yunierkis Perez-CastilloFuentes:googlescopusA TOPological Sub-structural Molecular Design (TOPS-MODE)-QSAR approach for modeling the antiproliferative activity against murine leukemia tumor cell line (L1210)
ArticleAbstract: Lately, Quantitative Structure-Activity Relationship (QSAR) studies have been afar used to predict aPalabras claves:anticancer activity, Indolcarbazole, Leukemia antitumor agents, RebeccamycinAutores:García-Mera X., Molina-Ruiz R., Natalia Dias Soeiro Cordeiro M., Perez González M., Rodríguez-Borges J.E., Saíz-Urra L., Yunierkis Perez-CastilloFuentes:googlescopusA desirability-based multi objective approach for the virtual screening discovery of broad-spectrum anti-gastric cancer agents
ArticleAbstract: Gastric cancer is the third leading cause of cancer-related mortality worldwide and despite advancesPalabras claves:Autores:Aminael Sánchez-Rodríguez, Borges F., Eduardo Tejera, Maykel Cruz-Monteagudo, Natalia Dias Soeiro Cordeiro M., Pham-The H., Thu H.L.T., Yunierkis Perez-CastilloFuentes:googlescopusA multi-objective approach for anti-osteosarcoma cancer agents discovery through drug repurposing
ArticleAbstract: Osteosarcoma is the most common type of primary malignant bone tumor. Although nowadays 5-year surviPalabras claves:Drug repositioning, Machine learning, Multi-objective model, Osteosarcoma, Virtual ScreeningAutores:Alejandro Cabrera-Andrade, Andrés López-Cortés, Eduardo Tejera, Gabriela Fernanda Jaramillo-Koupermann, González‐díaz H., Munteanu C.R., Sierra A.P., Yunierkis Perez-CastilloFuentes:scopusBacterial FabH: Towards the Discovery of New Broad-Spectrum Antibiotics
Book PartAbstract: The emergence of drug resistant strains of important human pathogens has made urgent the necessity oPalabras claves:drug design, FabH, FabH inhibitors, FASAutores:Froeyen M., Nowé A., Pérez M.A.C., Yunierkis Perez-CastilloFuentes:googlescopusBacterial β-ketoacyl-acyl carrier protein synthase III (FabH): An attractive target for the design of new broad-spectrum antimicrobial agents
ReviewAbstract: The emergence of drug resistant strains of important human pathogens has made urgent the necessity oPalabras claves:drug design, FabH, FabH inhibitors, FASAutores:Pérez M.A.C., Yunierkis Perez-CastilloFuentes:googlescopusBioactivity and Molecular Docking Studies of Derivatives from Cinnamic and Benzoic Acids
ArticleAbstract: Over the last decade, there has been a dramatic increase in the prevalence and gravity of systemic fPalabras claves:Autores:Campos R.S., Cavalcanti B.C., Ferreira A.R., Júnior H.V.N., Lima T.C., Magalhães H.I.F., Neto J.B.d.A., Silva C.R., Sousa D.P.D., Yunierkis Perez-CastilloFuentes:googlescopusCan docking scoring functions guarantee success in virtual screening?
Book PartAbstract: Computational methods such as virtual screening have an important role in drug discovery. Virtual scPalabras claves:Drug Discovery, Molecular docking, Scoring functions, Scoring performance, Structure-based drug discovery, Virtual ScreeningAutores:Eduardo Tejera, Yendrek Velasquez-López, Yunierkis Perez-CastilloFuentes:scopusActivity cliffs in drug discovery: Dr Jekyll or Mr Hyde?
ReviewAbstract: The impact activity cliffs have on drug discovery is double-edged. For instance, whereas medicinal cPalabras claves:Autores:Borges F., Maykel Cruz-Monteagudo, Medina-Franco J.L., Natalia Dias Soeiro Cordeiro M., Nicolotti O., Yunierkis Perez-CastilloFuentes:scopusFrom a coenzyme-like mechanism to homochirality
ArticleAbstract: Inspired in a coenzyme-like behavior, an alternative mechanism to induce homochirality within a smalPalabras claves:Autocatalysis, Co-enzymatic reactions, Homochirality, Stochastic modelingAutores:José Suárez-Lezcano, Leyva Y., Martin O., Yovani Marrero-Ponce, Yunierkis Perez-CastilloFuentes:scopus