Author: Pandey, Ajita; Sharma, Mohit
Title: Reappraisal of trifluperidol against Nsp3 as a potential therapeutic for novel COVID-19: a molecular docking and dynamics study Cord-id: 0i1ijrkp Document date: 2021_7_13
ID: 0i1ijrkp
Snippet: Novel COVID-19 is a highly infectious disease that is caused by the recently discovered SARS-CoV-2. It is a fast-spreading disease that urgently requires therapeutics. The current study employed computational regression methods to target the ADP-ribose phosphatase (ADRP) domain of Nsp3 using FDA-approved drugs. Identified leads were further investigated using molecular dynamics simulation (MDS). The screening and MDS results suggest that trifluperidol could be a novel inhibitor of the ADRP domai
Document: Novel COVID-19 is a highly infectious disease that is caused by the recently discovered SARS-CoV-2. It is a fast-spreading disease that urgently requires therapeutics. The current study employed computational regression methods to target the ADP-ribose phosphatase (ADRP) domain of Nsp3 using FDA-approved drugs. Identified leads were further investigated using molecular dynamics simulation (MDS). The screening and MDS results suggest that trifluperidol could be a novel inhibitor of the ADRP domain of Nsp3. Trifluperidol could, therefore, be used to help control the spread of COVID-19, either alone or in combination with antiviral agents.
Search related documents:
Co phrase search for related documents- active site and adp ribose phosphatase: 1, 2, 3, 4
- active site and adpr binding: 1
- active site and adrp activity: 1
- active site and adrp domain: 1, 2
- active site and low binding: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15
- active site and low binding energy: 1, 2, 3, 4, 5, 6
- active site and low energy: 1, 2, 3, 4, 5, 6, 7, 8
Co phrase search for related documents, hyperlinks ordered by date