{ "access": { "embargo": { "active": false, "reason": null }, "files": "public", "record": "public", "status": "open" }, "created": "2020-04-11T12:08:07.683192+00:00", "custom_fields": {}, "deletion_status": { "is_deleted": false, "status": "P" }, "files": { "count": 1, "enabled": true, "entries": { "7.pdf": { "checksum": "md5:01dabeb2ed3d93293ccee6c4310c18bd", "ext": "pdf", "id": "214279c5-e1ea-4930-b008-312f84bc7c78", "key": "7.pdf", "metadata": null, "mimetype": "application/pdf", "size": 520595 } }, "order": [], "total_bytes": 520595 }, "id": "3748477", "is_draft": false, "is_published": true, "links": { "access": "https://zenodo.org/api/records/3748477/access", "access_links": "https://zenodo.org/api/records/3748477/access/links", "access_request": "https://zenodo.org/api/records/3748477/access/request", "access_users": "https://zenodo.org/api/records/3748477/access/users", "archive": "https://zenodo.org/api/records/3748477/files-archive", "archive_media": "https://zenodo.org/api/records/3748477/media-files-archive", "communities": "https://zenodo.org/api/records/3748477/communities", "communities-suggestions": "https://zenodo.org/api/records/3748477/communities-suggestions", "doi": "https://doi.org/10.5281/zenodo.3748477", "draft": "https://zenodo.org/api/records/3748477/draft", "files": "https://zenodo.org/api/records/3748477/files", "latest": "https://zenodo.org/api/records/3748477/versions/latest", "latest_html": "https://zenodo.org/records/3748477/latest", "media_files": "https://zenodo.org/api/records/3748477/media-files", "parent": "https://zenodo.org/api/records/3748476", "parent_doi": "https://zenodo.org/doi/10.5281/zenodo.3748476", "parent_html": "https://zenodo.org/records/3748476", "requests": "https://zenodo.org/api/records/3748477/requests", "reserve_doi": "https://zenodo.org/api/records/3748477/draft/pids/doi", "self": "https://zenodo.org/api/records/3748477", "self_doi": "https://zenodo.org/doi/10.5281/zenodo.3748477", "self_html": "https://zenodo.org/records/3748477", "self_iiif_manifest": "https://zenodo.org/api/iiif/record:3748477/manifest", "self_iiif_sequence": "https://zenodo.org/api/iiif/record:3748477/sequence/default", "versions": "https://zenodo.org/api/records/3748477/versions" }, "media_files": { "count": 0, "enabled": false, "entries": {}, "order": [], "total_bytes": 0 }, "metadata": { "creators": [ { "person_or_org": { "family_name": "Arun Dev Sharma*", "given_name": "Inderjeet Kaur", "name": "Arun Dev Sharma*, Inderjeet Kaur", "type": "personal" } } ], "description": "
COVID-19, a member of corona virus family is spreading its tentacles
\nacross the world due to lack of drugs at present. However, the main
\nviral proteinase (Mpro/3CLpro) has recently been regarded as a
\nsuitable target for drug design against SARS infection due to its vital
\nrole in polyproteins processing necessary for coronavirus
\nreproduction. The present in silico study was designed to evaluate
\nthe effect of Jensenone, a essential oil component from eucalyptus oil,
\non Mpro by docking study. In the present study, molecular docking
\nstudies were conducted by using 1-click dock and swiss dock tools.
\nProtein interaction mode was calculated by Protein Interactions
\nCalculator.The calculated parameters such as binding energy, and
\nbinding site similarity indicated effective binding of Jensenone to
\nCOVID-19 proteinase. Active site prediction further validated the
\nrole of active site residues in ligand binding. PIC results indicated
\nthat, Mpro/ Jensenone complexes forms hydrophobic interactions,
\nhydrogen bond interactions and strong ionic interactions. Therefore,
\nJensenone may represent potential treatment potential to act as
\nCOVID-19 Mpro inhibitor. However, further research is necessary to
\ninvestigate their potential medicinal use.
\nKeywords: COVID-19, Essential oil,