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
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
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
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. Moreover, the ...
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

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

Lopinavir-Ritonavir Does Not Improve COVID-19 Outcomes Lopinavir-Ritonavir Does Not Improve COVID-19 Outcomes
Lopinavir-ritonavir is not associated with improved outcomes in patients hospitalized with COVID-19, a new trial shows.Reuters Health Information (Source: Medscape Critical Care Headlines)
Source: Medscape Critical Care Headlines - October 14, 2020 Category: Intensive Care Tags: Infectious Diseases News Source Type: news

Lopinavir - Ritonavir No Benefit in Patients Admitted With COVID - 19
No reductions seen in 28 - day mortality or duration of hospital stay in COVID - 19 with lopinavir - ritonavir (Source: Pulmonary Medicine News - Doctors Lounge)
Source: Pulmonary Medicine News - Doctors Lounge - October 7, 2020 Category: Respiratory Medicine Tags: Infections, Nursing, Pharmacy, Pulmonology, Critical Care, Emergency Medicine, Journal, Source Type: news

Lopinavir-Ritonavir No Benefit in Patients Admitted With COVID-19
WEDNESDAY, Oct. 7, 2020 -- Lopinavir-ritonavir is not associated with reductions in 28-day mortality or duration of hospital stay among patients admitted to the hospital with COVID-19, according to a study published online Oct. 5 in The... (Source: Drugs.com - Pharma News)
Source: Drugs.com - Pharma News - October 7, 2020 Category: Pharmaceuticals Source Type: news

Lopinavirritonavir in patients admitted to hospital with COVID-19 (RECOVERY): a randomised, controlled, open-label, platform trial, The Lancet
Summary Background Lopinavir –ritonavir has been proposed as a treatment for COVID-19 on the basis of in vitro activity, preclinical studies, and observational studies. Here, we report the results of a randomised trial to assess whether lopinavir–ritonavir improves outcomes in patients admitted to hospital with COVID-19. M ethods In this randomised, controlled, open-label, platform trial, a range of possible treatments was compared with usual care in patients admitted to hospital with COVID-19. The trial is underway at 176 hospitals in the UK. Eligible and consenting patients were randomly allocated to either u...
Source: Current Awareness Service for Health (CASH) - October 6, 2020 Category: Consumer Health News Source Type: news

HIV drugs lopinavir and ritonavir do NOT work as a Covid-19 treatment or cure, study finds
The Oxford University-led RECOVERY study has published its final results on lopinavir-ritonavir after withdrawing the drug combination from trials in June when medics realised it didn't work. (Source: the Mail online | Health)
Source: the Mail online | Health - October 6, 2020 Category: Consumer Health News Source Type: news

The Lancet: Lopinavir-ritonavir is not an effective treatment for patients hospitalised with COVID-19
(The Lancet) The drug combination lopinavir-ritonavir is not an effective treatment for patients admitted to hospital with COVID-19, according to the results of a randomised controlled trial published in The Lancet. (Source: EurekAlert! - Infectious and Emerging Diseases)
Source: EurekAlert! - Infectious and Emerging Diseases - October 5, 2020 Category: Infectious Diseases Source Type: news

Coronavirus patient treated with HIV drug saw heart rate drop dangerously low
The patient, in Singapore, was given lopinavir + ritonavir - a drug commonly used in HIV patients because it can stop viruses from being able to reproduce in the body. (Source: the Mail online | Health)
Source: the Mail online | Health - August 24, 2020 Category: Consumer Health News Source Type: news

Lopinavir/Ritonavir COVID-19 Treatment Linked to Bradycardia
FRIDAY, July 17, 2020 -- Lopinavir/ritonavir (LPV/RTV) treatment of COVID-19 is associated with an increased risk for bradycardia, according to a study published online July 9 in Circulation: Arrhythmia and Electrophysiology. Christophe Beyls,... (Source: Drugs.com - Pharma News)
Source: Drugs.com - Pharma News - July 17, 2020 Category: Pharmaceuticals Source Type: news

WHO Halts Hydroxychloroquine, HIV Drugs in COVID Trials After Failure to Reduce Death WHO Halts Hydroxychloroquine, HIV Drugs in COVID Trials After Failure to Reduce Death
WHO said on Saturday that it was discontinuing its trials of the malaria drug hydroxychloroquine and combination HIV drug lopinavir/ritonavir in hospitalised patients with COVID-19 after they failed to reduce mortality.Reuters Health Information (Source: Medscape Hiv-Aids Headlines)
Source: Medscape Hiv-Aids Headlines - July 7, 2020 Category: Infectious Diseases Tags: Infectious Diseases News Source Type: news

WHO ending hydroxycholorquine trial for COVID
WHO says a review of the interim results showed hydroxychloroquine and lopinavir/ritonavir "produce little or no reduction in the mortality of hospitalized COVID-19 patients when compared to standard of care." (Source: The Economic Times Healthcare and Biotech News)
Source: The Economic Times Healthcare and Biotech News - July 4, 2020 Category: Pharmaceuticals Source Type: news

WHO says trials show malaria and HIV drugs don't cut Covid-19 hospital deaths
Hydroxychloroquine and lopinavir/ritonavir not found to help patients in hospitalCoronavirus – latest updatesSee all our coronavirus coverageThe World Health Organization (WHO) said on Saturday that it was discontinuing its trials of the malaria drughydroxychloroquine and combination HIV drug lopinavir/ritonavir for patients in hospital with Covid-19 after they failed to reduce mortality.The setback came as WHO also reported more than 200,000 new cases globally of the disease for the first time in a single day. The US accounted for 53,213 of the total 212,326 new cases recorded on Friday, the WHO said.Continue readin...
Source: Guardian Unlimited Science - July 4, 2020 Category: Science Authors: Reuters Tags: Coronavirus outbreak Medical research World Health Organization World news US news Pharmaceuticals industry Science Infectious diseases Source Type: news