SARS-CoV-2 is a type of coronavirus responsible for the international outbreak of respiratory illness termed COVID-19 that forced the World Health Organization to declare a pandemic infectious disease situation of international concern at the beginning of 2020. The need for a swift response against COVID-19 prompted to consider different sources to identify bioactive compounds that can be used as therapeutic agents, including available drugs and natural products. Accordingly, this work reports the results of a virtual screening process aimed at identifying antiviral natural product inhibitors of the SARS-CoV-2 Mpro viral protease. For this purpose, ca. 2000 compounds of the Selleck database of Natural Compounds were the subject of an ensemble docking process targeting the Mpro protease. Molecules that showed binding to most of the protein conformations were retained for a further step that involved the computation of the binding free energy of the ligand-Mpro complex along a molecular dynamics trajectory. The compounds that showed a smooth binding free energy behavior were selected for in vitro testing. From the resulting set of compounds, five compounds exhibited an antiviral profile, and they are disclosed in the present work.

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ResumenLas complicaciones cardiovasculares son la principal causa de enfermedad renal crónica, y a su vez uno de los principales factores de riesgo cardiovascular. Por otro lado, la enfermedad cardiovascular está íntimamente relacionada con la obesidad central o androide.Nuestro objetivo es determinar los factores de riesgo cardiovascular presentes en nuestros pacientes en tratamiento sustitutivo de hemodiálisis para elaborar una hoja de seguimiento que nos sirva de apoyo para valorar la progresión o regresión de los factores de riesgo.Se diseñó un estudio descriptivo transversal prospectivo y abierto, la población de referencia se determinó por una muestra de los pacientes en tratamiento hemodialítico en nuestros centros. Analizados los 14 factores de riesgo cardiovascular presentes en el estudio, encontramos una media de factores presentes de 5,11 ± 2,15. La población estudiada presentaba: valores altos en cuanto a sobrepeso, uno de cada cuatro pacientes del estudio presentaba Síndrome Metabólico, niveles mayores de troponina basal en pacientes con más tiempo en hemodiálisis, encontramos una variedad entre 0 y 9 factores de riesgo presentes de los 14 analizados en el estudio, no encontramos correlación entre el tiempo en hemodiálisis y aumento de los factores de riesgo o entre la presencia de síndrome metabólico y el tiempo en hemodiálisis. PALABRAS CLAVE: -RIESGO CARDIOVASCULAR -SINDROME METABÓLICO -INDICE DE MASA CORPORAL -INDICE TOBILLO BRAZO -PERIMETRO ABDOMINAL -ESTUDIO MULTICENTRICO Assessment of cardiovascular risk in haemodialysis patients AbstractCardiovascular complications are the main cause of the Chronic Kidney Disease and also one of the main cardiovascular risk factors. On the other hand, a cardiovascular disease is directly related to android or central obesity. Our goal is to defi ne cardiovascular risk factors on our patients receiving haemodialysis therapy, in order to provide a follow-up form as a support to estimate the progression or regression of risk factors.

Enfermero del Hospital Virgen del Rocío. Sevilla Premio Sorin-Bellco de investigación en técnicas de diálisis