PMC:7755033 / 70087-71023 JSONTXT

{"target":"https://pubannotation.org/docs/sourcedb/PMC/sourceid/7755033","sourcedb":"PMC","sourceid":"7755033","source_url":"https://www.ncbi.nlm.nih.gov/pmc/7755033","text":"Withasomnine was found to bind near or at the active site of SARS-Co-V main protease 3CL-pro (PDB ID: 1P9U; Table 9), whereas anaferine was found to interact with the active site residues Cys145, Glu166, Ser144, Met165, His163, His164, Gln189, Asp187, Arg188, Met49 and His41 present at the active site of SARS-CoV-2 main protease 3CL-pro (PDB ID: 6LU7; Table 10). The 3CL-pro active site has been found to be evolutionarily conserved between SARS-CoV and SARS-CoV-2 (Báez-Santos et al., 2015; Chen et al., 2020; Guy et al., 2005; Zhang et al., 2020). In the same manner, the other seven phytoconstituents also displayed potent binding to the active site of SARS-CoV-2 3CL-pro except viscosalactone B as predicted by AutoDock vina and iGEMDOCK. The active site residues have been written in bold in Tables 9 and 10. As far as viral PL-pro and human ACE2 are concerned, WS phytoconstituents displayed allosteric binding to these enzymes.","tracks":[{"project":"LitCovid-PubTator","denotations":[{"id":"916","span":{"begin":832,"end":838},"obj":"Gene"},{"id":"917","span":{"begin":849,"end":853},"obj":"Gene"},{"id":"918","span":{"begin":340,"end":343},"obj":"Gene"},{"id":"919","span":{"begin":94,"end":97},"obj":"Gene"},{"id":"920","span":{"begin":306,"end":316},"obj":"Species"},{"id":"921","span":{"begin":443,"end":451},"obj":"Species"},{"id":"922","span":{"begin":456,"end":466},"obj":"Species"},{"id":"923","span":{"begin":658,"end":668},"obj":"Species"},{"id":"924","span":{"begin":843,"end":848},"obj":"Species"},{"id":"925","span":{"begin":869,"end":871},"obj":"Species"},{"id":"926","span":{"begin":369,"end":376},"obj":"Chemical"},{"id":"927","span":{"begin":684,"end":700},"obj":"Chemical"}],"attributes":[{"id":"A916","pred":"tao:has_database_id","subj":"916","obj":"Gene:43740578"},{"id":"A917","pred":"tao:has_database_id","subj":"917","obj":"Gene:59272"},{"id":"A918","pred":"tao:has_database_id","subj":"918","obj":"Gene:5131"},{"id":"A919","pred":"tao:has_database_id","subj":"919","obj":"Gene:5131"},{"id":"A920","pred":"tao:has_database_id","subj":"920","obj":"Tax:2697049"},{"id":"A921","pred":"tao:has_database_id","subj":"921","obj":"Tax:694009"},{"id":"A922","pred":"tao:has_database_id","subj":"922","obj":"Tax:2697049"},{"id":"A923","pred":"tao:has_database_id","subj":"923","obj":"Tax:2697049"},{"id":"A924","pred":"tao:has_database_id","subj":"924","obj":"Tax:9606"},{"id":"A925","pred":"tao:has_database_id","subj":"925","obj":"Tax:126910"},{"subj":"916","pred":"source","obj":"LitCovid-PubTator"},{"subj":"917","pred":"source","obj":"LitCovid-PubTator"},{"subj":"918","pred":"source","obj":"LitCovid-PubTator"},{"subj":"919","pred":"source","obj":"LitCovid-PubTator"},{"subj":"920","pred":"source","obj":"LitCovid-PubTator"},{"subj":"921","pred":"source","obj":"LitCovid-PubTator"},{"subj":"922","pred":"source","obj":"LitCovid-PubTator"},{"subj":"923","pred":"source","obj":"LitCovid-PubTator"},{"subj":"924","pred":"source","obj":"LitCovid-PubTator"},{"subj":"925","pred":"source","obj":"LitCovid-PubTator"},{"subj":"926","pred":"source","obj":"LitCovid-PubTator"},{"subj":"927","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":"T618","span":{"begin":102,"end":347},"obj":"Sentence"},{"id":"T619","span":{"begin":348,"end":364},"obj":"Sentence"},{"id":"T620","span":{"begin":365,"end":551},"obj":"Sentence"},{"id":"T621","span":{"begin":552,"end":744},"obj":"Sentence"},{"id":"T622","span":{"begin":745,"end":815},"obj":"Sentence"},{"id":"T623","span":{"begin":816,"end":936},"obj":"Sentence"}],"namespaces":[{"prefix":"_base","uri":"http://pubannotation.org/ontology/tao.owl#"}],"attributes":[{"subj":"T618","pred":"source","obj":"LitCovid-sentences"},{"subj":"T619","pred":"source","obj":"LitCovid-sentences"},{"subj":"T620","pred":"source","obj":"LitCovid-sentences"},{"subj":"T621","pred":"source","obj":"LitCovid-sentences"},{"subj":"T622","pred":"source","obj":"LitCovid-sentences"},{"subj":"T623","pred":"source","obj":"LitCovid-sentences"}]}],"config":{"attribute types":[{"pred":"source","value type":"selection","values":[{"id":"LitCovid-PubTator","color":"#ad93ec","default":true},{"id":"LitCovid-sentences","color":"#93ec93"}]}]}}