Exploration of Baicalin analogues against main Protease involved in Covid-19 as potential inhibitors involving in silico approaches
The proteolytic enzymesinvolved in the processing and replication of coronavirus serve a promising drug targetsfor coronavirus. Although a few numbers of vaccines have been made available, there is a great need for effective treatment to manageit. The current study involved the exploration of baical...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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EDP Sciences
2024-01-01
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| Series: | BIO Web of Conferences |
| Online Access: | https://www.bio-conferences.org/articles/bioconf/pdf/2024/05/bioconf_rtbs2024_01036.pdf |
| _version_ | 1797352945516281856 |
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| author | Sharma Pratibha Singh Manjinder Kaur Paranjeet Silakari Pragati Mujawar Somdutt Kumar Sahu Sanjeev |
| author_facet | Sharma Pratibha Singh Manjinder Kaur Paranjeet Silakari Pragati Mujawar Somdutt Kumar Sahu Sanjeev |
| author_sort | Sharma Pratibha |
| collection | DOAJ |
| description | The proteolytic enzymesinvolved in the processing and replication of coronavirus serve a promising drug targetsfor coronavirus. Although a few numbers of vaccines have been made available, there is a great need for effective treatment to manageit. The current study involved the exploration of baicalin analogues as potential inhibitor of viral proteolytic enzyme. Utilizing various computational tools (scaffold morphing, molecular docking and pharmacokinetic studies), the B74 and B86 analogueswere screened as potential inhibitors of main protease. Accordingly, these analogues can be explored further in the search of promising therapy against the coronavirus infection. |
| first_indexed | 2024-03-08T13:24:07Z |
| format | Article |
| id | doaj.art-eee52da6628e4228905af63e04605b81 |
| institution | Directory Open Access Journal |
| issn | 2117-4458 |
| language | English |
| last_indexed | 2024-03-08T13:24:07Z |
| publishDate | 2024-01-01 |
| publisher | EDP Sciences |
| record_format | Article |
| series | BIO Web of Conferences |
| spelling | doaj.art-eee52da6628e4228905af63e04605b812024-01-17T15:02:13ZengEDP SciencesBIO Web of Conferences2117-44582024-01-01860103610.1051/bioconf/20248601036bioconf_rtbs2024_01036Exploration of Baicalin analogues against main Protease involved in Covid-19 as potential inhibitors involving in silico approachesSharma Pratibha0Singh Manjinder1Kaur Paranjeet2Silakari Pragati3Mujawar Somdutt4Kumar Sahu Sanjeev5Chitkara College of Pharmacy, Chitkara UniversityChitkara College of Pharmacy, Chitkara UniversityChitkara College of Pharmacy, Chitkara UniversityChitkara College of Pharmacy, Chitkara UniversityChitkara College of Pharmacy, Chitkara UniversitySchool of Pharmaceutical Sciences, Lovely Professional UniversityThe proteolytic enzymesinvolved in the processing and replication of coronavirus serve a promising drug targetsfor coronavirus. Although a few numbers of vaccines have been made available, there is a great need for effective treatment to manageit. The current study involved the exploration of baicalin analogues as potential inhibitor of viral proteolytic enzyme. Utilizing various computational tools (scaffold morphing, molecular docking and pharmacokinetic studies), the B74 and B86 analogueswere screened as potential inhibitors of main protease. Accordingly, these analogues can be explored further in the search of promising therapy against the coronavirus infection.https://www.bio-conferences.org/articles/bioconf/pdf/2024/05/bioconf_rtbs2024_01036.pdf |
| spellingShingle | Sharma Pratibha Singh Manjinder Kaur Paranjeet Silakari Pragati Mujawar Somdutt Kumar Sahu Sanjeev Exploration of Baicalin analogues against main Protease involved in Covid-19 as potential inhibitors involving in silico approaches BIO Web of Conferences |
| title | Exploration of Baicalin analogues against main Protease involved in Covid-19 as potential inhibitors involving in silico approaches |
| title_full | Exploration of Baicalin analogues against main Protease involved in Covid-19 as potential inhibitors involving in silico approaches |
| title_fullStr | Exploration of Baicalin analogues against main Protease involved in Covid-19 as potential inhibitors involving in silico approaches |
| title_full_unstemmed | Exploration of Baicalin analogues against main Protease involved in Covid-19 as potential inhibitors involving in silico approaches |
| title_short | Exploration of Baicalin analogues against main Protease involved in Covid-19 as potential inhibitors involving in silico approaches |
| title_sort | exploration of baicalin analogues against main protease involved in covid 19 as potential inhibitors involving in silico approaches |
| url | https://www.bio-conferences.org/articles/bioconf/pdf/2024/05/bioconf_rtbs2024_01036.pdf |
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