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LitCovid-PD-MONDO

{"project":"LitCovid-PD-MONDO","denotations":[{"id":"T73","span":{"begin":145,"end":153},"obj":"Disease"},{"id":"T74","span":{"begin":298,"end":306},"obj":"Disease"},{"id":"T75","span":{"begin":903,"end":911},"obj":"Disease"},{"id":"T76","span":{"begin":1720,"end":1728},"obj":"Disease"}],"attributes":[{"id":"A73","pred":"mondo_id","subj":"T73","obj":"http://purl.obolibrary.org/obo/MONDO_0005091"},{"id":"A74","pred":"mondo_id","subj":"T74","obj":"http://purl.obolibrary.org/obo/MONDO_0005091"},{"id":"A75","pred":"mondo_id","subj":"T75","obj":"http://purl.obolibrary.org/obo/MONDO_0005091"},{"id":"A76","pred":"mondo_id","subj":"T76","obj":"http://purl.obolibrary.org/obo/MONDO_0005091"}],"text":"The comprehensive study reveals that Piperine forms a stable complex with RBD Spro and Mpro and can be considered as an active inhibitor against SARS-CoV-2. From the docking results, it is observed that the Piperine molecule is the best candidate for the inhibition of the RBD Spro and the Mpro of SARS-CoV-2 among the selected 30 molecules. To observe the effectiveness of Piperine over currently used drugs, we carried out the docking study of a few drug molecules such as chloroquine, favipiravir, hydroxychloroquine, oseltamivir, remdesivir and ribavirin using the same docking protocol as followed for the 30 spice molecules. From the docking score, it is found that Piperine performed better as compared to the currently used drugs stated above. The lowest energy pose of a few presently used drugs with their 2D interaction diagram is provided in Supplementary Figures S5 and S6 corresponding to SARS-CoV-2 Mpro and RBD Spro, respectively. A comparison of the lowest energy dock scores of these drug molecules along with Piperine is also provided in Table 2. The MD simulation results reveal that Piperine actively inhibits both the RBD Spro and Mpro by binding to their active sites. Piperine binds on the active site of the RBD Spro with those residues by which it interacts with ACE2. So, the binding of Piperine on that site may potentially cease the interaction tendency of RBD Spro with ACE2. Similarly, the interaction of Piperine on the active site of the Mpro may inhibit its viral replication. From the docking and MD results, we conclude that Piperine forms a very stable complex with RBD Spro and Mpro and shows better affinity as compared to the currently used drugs that are mentioned above against SARS-CoV-2."}

LitCovid-PD-CLO

{"project":"LitCovid-PD-CLO","denotations":[{"id":"T176","span":{"begin":52,"end":53},"obj":"http://purl.obolibrary.org/obo/CLO_0001020"},{"id":"T177","span":{"begin":120,"end":126},"obj":"http://purl.obolibrary.org/obo/CLO_0001658"},{"id":"T178","span":{"begin":446,"end":447},"obj":"http://purl.obolibrary.org/obo/CLO_0001020"},{"id":"T179","span":{"begin":778,"end":779},"obj":"http://purl.obolibrary.org/obo/CLO_0001020"},{"id":"T180","span":{"begin":876,"end":878},"obj":"http://purl.obolibrary.org/obo/CLO_0008933"},{"id":"T181","span":{"begin":947,"end":948},"obj":"http://purl.obolibrary.org/obo/CLO_0001020"},{"id":"T182","span":{"begin":1070,"end":1072},"obj":"http://purl.obolibrary.org/obo/CLO_0007622"},{"id":"T183","span":{"begin":1113,"end":1121},"obj":"http://purl.obolibrary.org/obo/CLO_0001658"},{"id":"T184","span":{"begin":1178,"end":1184},"obj":"http://purl.obolibrary.org/obo/CLO_0001658"},{"id":"T185","span":{"begin":1214,"end":1220},"obj":"http://purl.obolibrary.org/obo/CLO_0001658"},{"id":"T186","span":{"begin":1452,"end":1458},"obj":"http://purl.obolibrary.org/obo/CLO_0001658"},{"id":"T187","span":{"begin":1532,"end":1534},"obj":"http://purl.obolibrary.org/obo/CLO_0007622"},{"id":"T188","span":{"begin":1576,"end":1577},"obj":"http://purl.obolibrary.org/obo/CLO_0001020"}],"text":"The comprehensive study reveals that Piperine forms a stable complex with RBD Spro and Mpro and can be considered as an active inhibitor against SARS-CoV-2. From the docking results, it is observed that the Piperine molecule is the best candidate for the inhibition of the RBD Spro and the Mpro of SARS-CoV-2 among the selected 30 molecules. To observe the effectiveness of Piperine over currently used drugs, we carried out the docking study of a few drug molecules such as chloroquine, favipiravir, hydroxychloroquine, oseltamivir, remdesivir and ribavirin using the same docking protocol as followed for the 30 spice molecules. From the docking score, it is found that Piperine performed better as compared to the currently used drugs stated above. The lowest energy pose of a few presently used drugs with their 2D interaction diagram is provided in Supplementary Figures S5 and S6 corresponding to SARS-CoV-2 Mpro and RBD Spro, respectively. A comparison of the lowest energy dock scores of these drug molecules along with Piperine is also provided in Table 2. The MD simulation results reveal that Piperine actively inhibits both the RBD Spro and Mpro by binding to their active sites. Piperine binds on the active site of the RBD Spro with those residues by which it interacts with ACE2. So, the binding of Piperine on that site may potentially cease the interaction tendency of RBD Spro with ACE2. Similarly, the interaction of Piperine on the active site of the Mpro may inhibit its viral replication. From the docking and MD results, we conclude that Piperine forms a very stable complex with RBD Spro and Mpro and shows better affinity as compared to the currently used drugs that are mentioned above against SARS-CoV-2."}

LitCovid-PubTator

LitCovid-PD-GO-BP

{"project":"LitCovid-PD-GO-BP","denotations":[{"id":"T25","span":{"begin":1492,"end":1509},"obj":"http://purl.obolibrary.org/obo/GO_0019079"},{"id":"T26","span":{"begin":1492,"end":1509},"obj":"http://purl.obolibrary.org/obo/GO_0019058"}],"text":"The comprehensive study reveals that Piperine forms a stable complex with RBD Spro and Mpro and can be considered as an active inhibitor against SARS-CoV-2. From the docking results, it is observed that the Piperine molecule is the best candidate for the inhibition of the RBD Spro and the Mpro of SARS-CoV-2 among the selected 30 molecules. To observe the effectiveness of Piperine over currently used drugs, we carried out the docking study of a few drug molecules such as chloroquine, favipiravir, hydroxychloroquine, oseltamivir, remdesivir and ribavirin using the same docking protocol as followed for the 30 spice molecules. From the docking score, it is found that Piperine performed better as compared to the currently used drugs stated above. The lowest energy pose of a few presently used drugs with their 2D interaction diagram is provided in Supplementary Figures S5 and S6 corresponding to SARS-CoV-2 Mpro and RBD Spro, respectively. A comparison of the lowest energy dock scores of these drug molecules along with Piperine is also provided in Table 2. The MD simulation results reveal that Piperine actively inhibits both the RBD Spro and Mpro by binding to their active sites. Piperine binds on the active site of the RBD Spro with those residues by which it interacts with ACE2. So, the binding of Piperine on that site may potentially cease the interaction tendency of RBD Spro with ACE2. Similarly, the interaction of Piperine on the active site of the Mpro may inhibit its viral replication. From the docking and MD results, we conclude that Piperine forms a very stable complex with RBD Spro and Mpro and shows better affinity as compared to the currently used drugs that are mentioned above against SARS-CoV-2."}

LitCovid-sentences

{"project":"LitCovid-sentences","denotations":[{"id":"T340","span":{"begin":0,"end":156},"obj":"Sentence"},{"id":"T341","span":{"begin":157,"end":341},"obj":"Sentence"},{"id":"T342","span":{"begin":342,"end":630},"obj":"Sentence"},{"id":"T343","span":{"begin":631,"end":751},"obj":"Sentence"},{"id":"T344","span":{"begin":752,"end":946},"obj":"Sentence"},{"id":"T345","span":{"begin":947,"end":1065},"obj":"Sentence"},{"id":"T346","span":{"begin":1066,"end":1191},"obj":"Sentence"},{"id":"T347","span":{"begin":1192,"end":1294},"obj":"Sentence"},{"id":"T348","span":{"begin":1295,"end":1405},"obj":"Sentence"},{"id":"T349","span":{"begin":1406,"end":1510},"obj":"Sentence"},{"id":"T350","span":{"begin":1511,"end":1731},"obj":"Sentence"}],"namespaces":[{"prefix":"_base","uri":"http://pubannotation.org/ontology/tao.owl#"}],"text":"The comprehensive study reveals that Piperine forms a stable complex with RBD Spro and Mpro and can be considered as an active inhibitor against SARS-CoV-2. From the docking results, it is observed that the Piperine molecule is the best candidate for the inhibition of the RBD Spro and the Mpro of SARS-CoV-2 among the selected 30 molecules. To observe the effectiveness of Piperine over currently used drugs, we carried out the docking study of a few drug molecules such as chloroquine, favipiravir, hydroxychloroquine, oseltamivir, remdesivir and ribavirin using the same docking protocol as followed for the 30 spice molecules. From the docking score, it is found that Piperine performed better as compared to the currently used drugs stated above. The lowest energy pose of a few presently used drugs with their 2D interaction diagram is provided in Supplementary Figures S5 and S6 corresponding to SARS-CoV-2 Mpro and RBD Spro, respectively. A comparison of the lowest energy dock scores of these drug molecules along with Piperine is also provided in Table 2. The MD simulation results reveal that Piperine actively inhibits both the RBD Spro and Mpro by binding to their active sites. Piperine binds on the active site of the RBD Spro with those residues by which it interacts with ACE2. So, the binding of Piperine on that site may potentially cease the interaction tendency of RBD Spro with ACE2. Similarly, the interaction of Piperine on the active site of the Mpro may inhibit its viral replication. From the docking and MD results, we conclude that Piperine forms a very stable complex with RBD Spro and Mpro and shows better affinity as compared to the currently used drugs that are mentioned above against SARS-CoV-2."}