Targeting the PEDV 3CL protease for identification of small molecule inhibitors: an insight from virtual screening, ADMET prediction, molecular dynamics, free energy landscape, and binding energy calculations
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| Định dạng: | Sách |
| Ngôn ngữ: | English |
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Springer
2023
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| Truy cập trực tuyến: | https://link.springer.com/article/10.1186/s13036-023-00342-y https://dlib.phenikaa-uni.edu.vn/handle/PNK/8071 |
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oai:localhost:PNK-80712023-04-19T04:43:37Z Targeting the PEDV 3CL protease for identification of small molecule inhibitors: an insight from virtual screening, ADMET prediction, molecular dynamics, free energy landscape, and binding energy calculations Rajesh Kumar, Pathak Won-Il, Kim Jun-Mo, Kim PEDV 3CL protease CC BY The porcine epidemic diarrhea virus (PEDV) represents a major health issue for piglets worldwide and does significant damage to the pork industry. Thus, new therapeutic approaches are urgently needed to manage PEDV infections. Due to the current lack of a reliable remedy, this present study aims to identify novel compounds that inhibit the 3CL protease of the virus involved in replication and pathogenesis. 2023-04-19T04:43:37Z 2023-04-19T04:43:37Z 2023 Book https://link.springer.com/article/10.1186/s13036-023-00342-y https://dlib.phenikaa-uni.edu.vn/handle/PNK/8071 en application/pdf Springer |
| institution |
Digital Phenikaa |
| collection |
Digital Phenikaa |
| language |
English |
| topic |
PEDV 3CL protease |
| spellingShingle |
PEDV 3CL protease Rajesh Kumar, Pathak Won-Il, Kim Jun-Mo, Kim Targeting the PEDV 3CL protease for identification of small molecule inhibitors: an insight from virtual screening, ADMET prediction, molecular dynamics, free energy landscape, and binding energy calculations |
| description |
CC BY |
| format |
Book |
| author |
Rajesh Kumar, Pathak Won-Il, Kim Jun-Mo, Kim |
| author_facet |
Rajesh Kumar, Pathak Won-Il, Kim Jun-Mo, Kim |
| author_sort |
Rajesh Kumar, Pathak |
| title |
Targeting the PEDV 3CL protease for identification of small molecule inhibitors: an insight from virtual screening, ADMET prediction, molecular dynamics, free energy landscape, and binding energy calculations |
| title_short |
Targeting the PEDV 3CL protease for identification of small molecule inhibitors: an insight from virtual screening, ADMET prediction, molecular dynamics, free energy landscape, and binding energy calculations |
| title_full |
Targeting the PEDV 3CL protease for identification of small molecule inhibitors: an insight from virtual screening, ADMET prediction, molecular dynamics, free energy landscape, and binding energy calculations |
| title_fullStr |
Targeting the PEDV 3CL protease for identification of small molecule inhibitors: an insight from virtual screening, ADMET prediction, molecular dynamics, free energy landscape, and binding energy calculations |
| title_full_unstemmed |
Targeting the PEDV 3CL protease for identification of small molecule inhibitors: an insight from virtual screening, ADMET prediction, molecular dynamics, free energy landscape, and binding energy calculations |
| title_sort |
targeting the pedv 3cl protease for identification of small molecule inhibitors: an insight from virtual screening, admet prediction, molecular dynamics, free energy landscape, and binding energy calculations |
| publisher |
Springer |
| publishDate |
2023 |
| url |
https://link.springer.com/article/10.1186/s13036-023-00342-y https://dlib.phenikaa-uni.edu.vn/handle/PNK/8071 |
| _version_ |
1763633855905923072 |
| score |
8.891145 |