Molecular modeling evaluation of the binding effect of five protease inhibitors to COVID-19 main protease
Chem Phys. 2021 Feb 1;542:111080. doi: 10.1016/j.chemphys.2020.111080. Epub 2020 Dec 11.ABSTRACTCoronavirus disease 2019 (COVID-19) has caused more than 840,000 deaths as of 31 August 2020 in the whole world. The COVID-19 main protease (Mpro) has been validated as an attractive target for drug design. In this work, the binding mechanisms of five protease inhibitors (e.g., danoprevir, darunavir, ASC09, lopinavir and ritonavir) to COVID-19 Mpro were investigated. Based on the docking score, five protease inhibitors structures were selected for further evaluation. It is found that most of the selected drug molecules bind stab...
Source: Chemical Physics - February 1, 2021 Category: Chemistry Authors: Jian Liu You Zhai Lijun Liang Danyan Zhu Qingwei Zhao Yunqing Qiu Source Type: news
Molecular modeling evaluation of the binding effect of five protease inhibitors to COVID-19 main protease
Chem Phys. 2021 Feb 1;542:111080. doi: 10.1016/j.chemphys.2020.111080. Epub 2020 Dec 11.ABSTRACTCoronavirus disease 2019 (COVID-19) has caused more than 840,000 deaths as of 31 August 2020 in the whole world. The COVID-19 main protease (Mpro) has been validated as an attractive target for drug design. In this work, the binding mechanisms of five protease inhibitors (e.g., danoprevir, darunavir, ASC09, lopinavir and ritonavir) to COVID-19 Mpro were investigated. Based on the docking score, five protease inhibitors structures were selected for further evaluation. It is found that most of the selected drug molecules bind stab...
Source: Chemical Physics - February 1, 2021 Category: Chemistry Authors: Jian Liu You Zhai Lijun Liang Danyan Zhu Qingwei Zhao Yunqing Qiu Source Type: news
Molecular modeling evaluation of the binding effect of five protease inhibitors to COVID-19 main protease
Chem Phys. 2021 Feb 1;542:111080. doi: 10.1016/j.chemphys.2020.111080. Epub 2020 Dec 11.ABSTRACTCoronavirus disease 2019 (COVID-19) has caused more than 840,000 deaths as of 31 August 2020 in the whole world. The COVID-19 main protease (Mpro) has been validated as an attractive target for drug design. In this work, the binding mechanisms of five protease inhibitors (e.g., danoprevir, darunavir, ASC09, lopinavir and ritonavir) to COVID-19 Mpro were investigated. Based on the docking score, five protease inhibitors structures were selected for further evaluation. It is found that most of the selected drug molecules bind stab...
Source: Chemical Physics - February 1, 2021 Category: Chemistry Authors: Jian Liu You Zhai Lijun Liang Danyan Zhu Qingwei Zhao Yunqing Qiu Source Type: news
Molecular modeling evaluation of the binding effect of five protease inhibitors to COVID-19 main protease
Chem Phys. 2021 Feb 1;542:111080. doi: 10.1016/j.chemphys.2020.111080. Epub 2020 Dec 11.ABSTRACTCoronavirus disease 2019 (COVID-19) has caused more than 840,000 deaths as of 31 August 2020 in the whole world. The COVID-19 main protease (Mpro) has been validated as an attractive target for drug design. In this work, the binding mechanisms of five protease inhibitors (e.g., danoprevir, darunavir, ASC09, lopinavir and ritonavir) to COVID-19 Mpro were investigated. Based on the docking score, five protease inhibitors structures were selected for further evaluation. It is found that most of the selected drug molecules bind stab...
Source: Chemical Physics - February 1, 2021 Category: Chemistry Authors: Jian Liu You Zhai Lijun Liang Danyan Zhu Qingwei Zhao Yunqing Qiu Source Type: news
Molecular modeling evaluation of the binding effect of five protease inhibitors to COVID-19 main protease
Chem Phys. 2021 Feb 1;542:111080. doi: 10.1016/j.chemphys.2020.111080. Epub 2020 Dec 11.ABSTRACTCoronavirus disease 2019 (COVID-19) has caused more than 840,000 deaths as of 31 August 2020 in the whole world. The COVID-19 main protease (Mpro) has been validated as an attractive target for drug design. In this work, the binding mechanisms of five protease inhibitors (e.g., danoprevir, darunavir, ASC09, lopinavir and ritonavir) to COVID-19 Mpro were investigated. Based on the docking score, five protease inhibitors structures were selected for further evaluation. It is found that most of the selected drug molecules bind stab...
Source: Chemical Physics - February 1, 2021 Category: Chemistry Authors: Jian Liu You Zhai Lijun Liang Danyan Zhu Qingwei Zhao Yunqing Qiu Source Type: news
Molecular modeling evaluation of the binding effect of five protease inhibitors to COVID-19 main protease
Chem Phys. 2021 Feb 1;542:111080. doi: 10.1016/j.chemphys.2020.111080. Epub 2020 Dec 11.ABSTRACTCoronavirus disease 2019 (COVID-19) has caused more than 840,000 deaths as of 31 August 2020 in the whole world. The COVID-19 main protease (Mpro) has been validated as an attractive target for drug design. In this work, the binding mechanisms of five protease inhibitors (e.g., danoprevir, darunavir, ASC09, lopinavir and ritonavir) to COVID-19 Mpro were investigated. Based on the docking score, five protease inhibitors structures were selected for further evaluation. It is found that most of the selected drug molecules bind stab...
Source: Chemical Physics - February 1, 2021 Category: Chemistry Authors: Jian Liu You Zhai Lijun Liang Danyan Zhu Qingwei Zhao Yunqing Qiu Source Type: news
Molecular modeling evaluation of the binding effect of five protease inhibitors to COVID-19 main protease
Chem Phys. 2021 Feb 1;542:111080. doi: 10.1016/j.chemphys.2020.111080. Epub 2020 Dec 11.ABSTRACTCoronavirus disease 2019 (COVID-19) has caused more than 840,000 deaths as of 31 August 2020 in the whole world. The COVID-19 main protease (Mpro) has been validated as an attractive target for drug design. In this work, the binding mechanisms of five protease inhibitors (e.g., danoprevir, darunavir, ASC09, lopinavir and ritonavir) to COVID-19 Mpro were investigated. Based on the docking score, five protease inhibitors structures were selected for further evaluation. It is found that most of the selected drug molecules bind stab...
Source: Chemical Physics - February 1, 2021 Category: Chemistry Authors: Jian Liu You Zhai Lijun Liang Danyan Zhu Qingwei Zhao Yunqing Qiu Source Type: news
Molecular modeling evaluation of the binding effect of five protease inhibitors to COVID-19 main protease
Chem Phys. 2021 Feb 1;542:111080. doi: 10.1016/j.chemphys.2020.111080. Epub 2020 Dec 11.ABSTRACTCoronavirus disease 2019 (COVID-19) has caused more than 840,000 deaths as of 31 August 2020 in the whole world. The COVID-19 main protease (Mpro) has been validated as an attractive target for drug design. In this work, the binding mechanisms of five protease inhibitors (e.g., danoprevir, darunavir, ASC09, lopinavir and ritonavir) to COVID-19 Mpro were investigated. Based on the docking score, five protease inhibitors structures were selected for further evaluation. It is found that most of the selected drug molecules bind stab...
Source: Chemical Physics - February 1, 2021 Category: Chemistry Authors: Jian Liu You Zhai Lijun Liang Danyan Zhu Qingwei Zhao Yunqing Qiu Source Type: news
Molecular modeling evaluation of the binding effect of five protease inhibitors to COVID-19 main protease
Chem Phys. 2021 Feb 1;542:111080. doi: 10.1016/j.chemphys.2020.111080. Epub 2020 Dec 11.ABSTRACTCoronavirus disease 2019 (COVID-19) has caused more than 840,000 deaths as of 31 August 2020 in the whole world. The COVID-19 main protease (Mpro) has been validated as an attractive target for drug design. In this work, the binding mechanisms of five protease inhibitors (e.g., danoprevir, darunavir, ASC09, lopinavir and ritonavir) to COVID-19 Mpro were investigated. Based on the docking score, five protease inhibitors structures were selected for further evaluation. It is found that most of the selected drug molecules bind stab...
Source: Chemical Physics - February 1, 2021 Category: Chemistry Authors: Jian Liu You Zhai Lijun Liang Danyan Zhu Qingwei Zhao Yunqing Qiu Source Type: news
Molecular modeling evaluation of the binding effect of five protease inhibitors to COVID-19 main protease
Chem Phys. 2021 Feb 1;542:111080. doi: 10.1016/j.chemphys.2020.111080. Epub 2020 Dec 11.ABSTRACTCoronavirus disease 2019 (COVID-19) has caused more than 840,000 deaths as of 31 August 2020 in the whole world. The COVID-19 main protease (Mpro) has been validated as an attractive target for drug design. In this work, the binding mechanisms of five protease inhibitors (e.g., danoprevir, darunavir, ASC09, lopinavir and ritonavir) to COVID-19 Mpro were investigated. Based on the docking score, five protease inhibitors structures were selected for further evaluation. It is found that most of the selected drug molecules bind stab...
Source: Chemical Physics - February 1, 2021 Category: Chemistry Authors: Jian Liu You Zhai Lijun Liang Danyan Zhu Qingwei Zhao Yunqing Qiu Source Type: news
Molecular modeling evaluation of the binding effect of five protease inhibitors to COVID-19 main protease
Chem Phys. 2021 Feb 1;542:111080. doi: 10.1016/j.chemphys.2020.111080. Epub 2020 Dec 11.ABSTRACTCoronavirus disease 2019 (COVID-19) has caused more than 840,000 deaths as of 31 August 2020 in the whole world. The COVID-19 main protease (Mpro) has been validated as an attractive target for drug design. In this work, the binding mechanisms of five protease inhibitors (e.g., danoprevir, darunavir, ASC09, lopinavir and ritonavir) to COVID-19 Mpro were investigated. Based on the docking score, five protease inhibitors structures were selected for further evaluation. It is found that most of the selected drug molecules bind stab...
Source: Chemical Physics - February 1, 2021 Category: Chemistry Authors: Jian Liu You Zhai Lijun Liang Danyan Zhu Qingwei Zhao Yunqing Qiu Source Type: news
Molecular modeling evaluation of the binding effect of five protease inhibitors to COVID-19 main protease
Chem Phys. 2021 Feb 1;542:111080. doi: 10.1016/j.chemphys.2020.111080. Epub 2020 Dec 11.ABSTRACTCoronavirus disease 2019 (COVID-19) has caused more than 840,000 deaths as of 31 August 2020 in the whole world. The COVID-19 main protease (Mpro) has been validated as an attractive target for drug design. In this work, the binding mechanisms of five protease inhibitors (e.g., danoprevir, darunavir, ASC09, lopinavir and ritonavir) to COVID-19 Mpro were investigated. Based on the docking score, five protease inhibitors structures were selected for further evaluation. It is found that most of the selected drug molecules bind stab...
Source: Chemical Physics - February 1, 2021 Category: Chemistry Authors: Jian Liu You Zhai Lijun Liang Danyan Zhu Qingwei Zhao Yunqing Qiu Source Type: news
Molecular modeling evaluation of the binding effect of five protease inhibitors to COVID-19 main protease.
Abstract
Coronavirus disease 2019 (COVID-19) has caused more than 840,000 deaths as of 31 August 2020 in the whole world. The COVID-19 main protease (Mpro) has been validated as an attractive target for drug design. In this work, the binding mechanisms of five protease inhibitors (e.g., danoprevir, darunavir, ASC09, lopinavir and ritonavir) to COVID-19 Mpro were investigated. Based on the docking score, five protease inhibitors structures were selected for further evaluation. It is found that most of the selected drug molecules bind stably to the COVID-19 Mpro from the molecular dynamics simulation. Moreov...
Source: Chemical Physics - February 1, 2021 Category: Chemistry Authors: Liu J, Zhai Y, Liang L, Zhu D, Zhao Q, Qiu Y Tags: Chem Phys Source Type: news
Comunicado de la FDA sobre la seguridad de los medicamentos: Informaci & oacute;n actualizada sobre la interacci & oacute;n entre el medicamento Victrelis (boceprevir) y ciertos medicamentos reforzados inhibidores de la proteasa del VIH
El 26 de abril del 2012, la Administraci ón de Alimentos y Medicamentos de Estados Unidos (FDA por sus siglas en inglés) informó al público que, en estos momentos, no se recomienda tomar conjuntamente Victrelis (boceprevir), un inhibidor de la proteasa del virus de la hepatitis C (VHC) junto con ciertos inhibidores de la proteasa del virus de la inmunodeficiencia humana VIH reforzados con ritonavir, por la posibilidad de reducir la eficacia de los medicamentos, lo que puede desencadenar el aumento del VHC o VIH en la sangre (carga viral). (Source: FDA Center for Drug Evaluation and Research - What's New)
Source: FDA Center for Drug Evaluation and Research - What's New - January 6, 2021 Category: Drugs & Pharmacology Authors: FDA Source Type: news
WHO publishes updated living guideline on therapeutics and Covid-19, WHO
Based on the results of a systematic review and meta-analysis, the guideline panel makes new strong recommendations against the use of hydroxychloroquine and lopinavir/ritonavir in patients with Covid-19, regardless of disease severity. (Source: Current Awareness Service for Health (CASH))
Source: Current Awareness Service for Health (CASH) - December 21, 2020 Category: Consumer Health News Source Type: news
