PMC:7784834 / 33891-34719 JSONTXT

{"target":"https://pubannotation.org/docs/sourcedb/PMC/sourceid/7784834","sourcedb":"PMC","sourceid":"7784834","source_url":"https://www.ncbi.nlm.nih.gov/pmc/7784834","text":"SARS-CoV-2 which causes the deadly and highly infectious COVID-19 remains an unmet medical issue that requires urgent attention, owing to the number of deaths it is causing globally. We report here a computational approach for a repurposing screening program against two crucial SARS-CoV-2 drug targets viz. the spike protein and the main protease. We discovered that the drug rutin, showed a high binding potency against both the drug targets and may therefore be capable of eliciting reduction in viral load. The current study delineates that the highly effective repurposed drug rutin has the potential to obtain strong inhibition against SARS-CoV-2 spike protein and main protease. Rutin showed high binding efficiency against spike protein and main protease having an XP Glide score of –8.367 kcal/mol and –11.553 kcal/mol.","tracks":[{"project":"LitCovid-PubTator","denotations":[{"id":"462","span":{"begin":312,"end":317},"obj":"Gene"},{"id":"463","span":{"begin":653,"end":658},"obj":"Gene"},{"id":"464","span":{"begin":731,"end":736},"obj":"Gene"},{"id":"465","span":{"begin":0,"end":10},"obj":"Species"},{"id":"466","span":{"begin":279,"end":289},"obj":"Species"},{"id":"467","span":{"begin":642,"end":652},"obj":"Species"},{"id":"468","span":{"begin":57,"end":65},"obj":"Disease"},{"id":"469","span":{"begin":152,"end":158},"obj":"Disease"}],"attributes":[{"id":"A462","pred":"tao:has_database_id","subj":"462","obj":"Gene:43740568"},{"id":"A463","pred":"tao:has_database_id","subj":"463","obj":"Gene:43740568"},{"id":"A464","pred":"tao:has_database_id","subj":"464","obj":"Gene:43740568"},{"id":"A465","pred":"tao:has_database_id","subj":"465","obj":"Tax:2697049"},{"id":"A466","pred":"tao:has_database_id","subj":"466","obj":"Tax:2697049"},{"id":"A467","pred":"tao:has_database_id","subj":"467","obj":"Tax:2697049"},{"id":"A468","pred":"tao:has_database_id","subj":"468","obj":"MESH:C000657245"},{"id":"A469","pred":"tao:has_database_id","subj":"469","obj":"MESH:D003643"},{"subj":"462","pred":"source","obj":"LitCovid-PubTator"},{"subj":"463","pred":"source","obj":"LitCovid-PubTator"},{"subj":"464","pred":"source","obj":"LitCovid-PubTator"},{"subj":"465","pred":"source","obj":"LitCovid-PubTator"},{"subj":"466","pred":"source","obj":"LitCovid-PubTator"},{"subj":"467","pred":"source","obj":"LitCovid-PubTator"},{"subj":"468","pred":"source","obj":"LitCovid-PubTator"},{"subj":"469","pred":"source","obj":"LitCovid-PubTator"}],"namespaces":[{"prefix":"Tax","uri":"https://www.ncbi.nlm.nih.gov/taxonomy/"},{"prefix":"MESH","uri":"https://id.nlm.nih.gov/mesh/"},{"prefix":"Gene","uri":"https://www.ncbi.nlm.nih.gov/gene/"},{"prefix":"CVCL","uri":"https://web.expasy.org/cellosaurus/CVCL_"}]},{"project":"LitCovid-sentences","denotations":[{"id":"T236","span":{"begin":0,"end":182},"obj":"Sentence"},{"id":"T237","span":{"begin":183,"end":348},"obj":"Sentence"},{"id":"T238","span":{"begin":349,"end":510},"obj":"Sentence"},{"id":"T239","span":{"begin":511,"end":685},"obj":"Sentence"},{"id":"T240","span":{"begin":686,"end":828},"obj":"Sentence"}],"namespaces":[{"prefix":"_base","uri":"http://pubannotation.org/ontology/tao.owl#"}],"attributes":[{"subj":"T236","pred":"source","obj":"LitCovid-sentences"},{"subj":"T237","pred":"source","obj":"LitCovid-sentences"},{"subj":"T238","pred":"source","obj":"LitCovid-sentences"},{"subj":"T239","pred":"source","obj":"LitCovid-sentences"},{"subj":"T240","pred":"source","obj":"LitCovid-sentences"}]}],"config":{"attribute types":[{"pred":"source","value type":"selection","values":[{"id":"LitCovid-PubTator","color":"#93cdec","default":true},{"id":"LitCovid-sentences","color":"#e7ec93"}]}]}}