PMC:7441777 / 30042-30993 JSONTXT

{"project":"LitCovid-PD-CLO","denotations":[{"id":"T191","span":{"begin":537,"end":538},"obj":"http://purl.obolibrary.org/obo/CLO_0001020"},{"id":"T192","span":{"begin":616,"end":617},"obj":"http://purl.obolibrary.org/obo/CLO_0001021"},{"id":"T193","span":{"begin":866,"end":867},"obj":"http://purl.obolibrary.org/obo/CLO_0001020"},{"id":"T194","span":{"begin":892,"end":893},"obj":"http://purl.obolibrary.org/obo/CLO_0001021"}],"text":"Table 4. Energetic components of the binding free energy of RdRp and natural polyphenols along with remdesivir complexes in kcal/mol. Data are represented as average ± SEM.\nComponents Remdesivir EGCG TF3 TF2b TF2a\nΔEvdW −31.85 ± 0.15 −25.11 ± 0.18 −37.82 ± 0.21 −30.66 ± 0.23 −22.55 ± 0.19\nΔEelec −98.40 ± 0.70 −69.38 ± 0.73 −123.63 ± 0.88 −47.18 ± 0.64 −95.28 ± 1.27\nΔGpol 109.97 ± 0.57 71.62 ± 0.48 124.47 ± 0.58 55.01 ± 0.49 94.94 ± 1.10\nΔGnp −4.29 ± 0.01 −4.15 ± 0.01 −5.29 ± 0.01 −3.91 ± 0.01 −4.28 ± 0.02\naΔGsolv 105.68 ± 0.57 67.47 ± 0.48 119.18 ± 0.58 51.1 ± 0.49 90.66 ± 1.10\nbΔGpol + elec 11.57 ± 0.90 2.24 ± 0.87 0.84 ± 1.05 7.83 ± 0.80 −0.34 ± 1.68\ncΔEMM −130.25 ± 0.71 −94.49 ± 0.75 −161.45 ± 0.90 −77.84 ± 0.68 −117.83 ± 1.28\nΔGbindSim −24.57 ± 0.91 −27.02 ± 0.89 −42.27 ± 1.07 −26.74 ± 0.83 −27.17 ± 1.69\na ΔGsolv = ΔGnp + ΔGpol,\nb ΔGpol + elec = ΔEelec + ΔGpol,\nc ΔEMM = ΔEvdW + ΔEelec."}

{"project":"LitCovid-PD-CHEBI","denotations":[{"id":"T418","span":{"begin":78,"end":89},"obj":"Chemical"},{"id":"T419","span":{"begin":101,"end":111},"obj":"Chemical"},{"id":"T420","span":{"begin":198,"end":202},"obj":"Chemical"},{"id":"T421","span":{"begin":204,"end":207},"obj":"Chemical"}],"attributes":[{"id":"A418","pred":"chebi_id","subj":"T418","obj":"http://purl.obolibrary.org/obo/CHEBI_26195"},{"id":"A419","pred":"chebi_id","subj":"T419","obj":"http://purl.obolibrary.org/obo/CHEBI_145994"},{"id":"A420","pred":"chebi_id","subj":"T420","obj":"http://purl.obolibrary.org/obo/CHEBI_4806"},{"id":"A421","pred":"chebi_id","subj":"T421","obj":"http://purl.obolibrary.org/obo/CHEBI_136608"}],"text":"Table 4. Energetic components of the binding free energy of RdRp and natural polyphenols along with remdesivir complexes in kcal/mol. Data are represented as average ± SEM.\nComponents Remdesivir EGCG TF3 TF2b TF2a\nΔEvdW −31.85 ± 0.15 −25.11 ± 0.18 −37.82 ± 0.21 −30.66 ± 0.23 −22.55 ± 0.19\nΔEelec −98.40 ± 0.70 −69.38 ± 0.73 −123.63 ± 0.88 −47.18 ± 0.64 −95.28 ± 1.27\nΔGpol 109.97 ± 0.57 71.62 ± 0.48 124.47 ± 0.58 55.01 ± 0.49 94.94 ± 1.10\nΔGnp −4.29 ± 0.01 −4.15 ± 0.01 −5.29 ± 0.01 −3.91 ± 0.01 −4.28 ± 0.02\naΔGsolv 105.68 ± 0.57 67.47 ± 0.48 119.18 ± 0.58 51.1 ± 0.49 90.66 ± 1.10\nbΔGpol + elec 11.57 ± 0.90 2.24 ± 0.87 0.84 ± 1.05 7.83 ± 0.80 −0.34 ± 1.68\ncΔEMM −130.25 ± 0.71 −94.49 ± 0.75 −161.45 ± 0.90 −77.84 ± 0.68 −117.83 ± 1.28\nΔGbindSim −24.57 ± 0.91 −27.02 ± 0.89 −42.27 ± 1.07 −26.74 ± 0.83 −27.17 ± 1.69\na ΔGsolv = ΔGnp + ΔGpol,\nb ΔGpol + elec = ΔEelec + ΔGpol,\nc ΔEMM = ΔEvdW + ΔEelec."}

{"project":"LitCovid-PubTator","denotations":[{"id":"722","span":{"begin":209,"end":213},"obj":"Gene"},{"id":"723","span":{"begin":186,"end":196},"obj":"Chemical"},{"id":"727","span":{"begin":61,"end":65},"obj":"Gene"},{"id":"728","span":{"begin":78,"end":89},"obj":"Chemical"},{"id":"729","span":{"begin":101,"end":111},"obj":"Chemical"}],"attributes":[{"id":"A722","pred":"tao:has_database_id","subj":"722","obj":"Gene:2959"},{"id":"A723","pred":"tao:has_database_id","subj":"723","obj":"MESH:C000606551"},{"id":"A727","pred":"tao:has_database_id","subj":"727","obj":"Gene:43740578"},{"id":"A728","pred":"tao:has_database_id","subj":"728","obj":"MESH:D059808"},{"id":"A729","pred":"tao:has_database_id","subj":"729","obj":"MESH:C000606551"}],"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_"}],"text":"Table 4. Energetic components of the binding free energy of RdRp and natural polyphenols along with remdesivir complexes in kcal/mol. Data are represented as average ± SEM.\nComponents Remdesivir EGCG TF3 TF2b TF2a\nΔEvdW −31.85 ± 0.15 −25.11 ± 0.18 −37.82 ± 0.21 −30.66 ± 0.23 −22.55 ± 0.19\nΔEelec −98.40 ± 0.70 −69.38 ± 0.73 −123.63 ± 0.88 −47.18 ± 0.64 −95.28 ± 1.27\nΔGpol 109.97 ± 0.57 71.62 ± 0.48 124.47 ± 0.58 55.01 ± 0.49 94.94 ± 1.10\nΔGnp −4.29 ± 0.01 −4.15 ± 0.01 −5.29 ± 0.01 −3.91 ± 0.01 −4.28 ± 0.02\naΔGsolv 105.68 ± 0.57 67.47 ± 0.48 119.18 ± 0.58 51.1 ± 0.49 90.66 ± 1.10\nbΔGpol + elec 11.57 ± 0.90 2.24 ± 0.87 0.84 ± 1.05 7.83 ± 0.80 −0.34 ± 1.68\ncΔEMM −130.25 ± 0.71 −94.49 ± 0.75 −161.45 ± 0.90 −77.84 ± 0.68 −117.83 ± 1.28\nΔGbindSim −24.57 ± 0.91 −27.02 ± 0.89 −42.27 ± 1.07 −26.74 ± 0.83 −27.17 ± 1.69\na ΔGsolv = ΔGnp + ΔGpol,\nb ΔGpol + elec = ΔEelec + ΔGpol,\nc ΔEMM = ΔEvdW + ΔEelec."}

{"project":"LitCovid-sentences","denotations":[{"id":"T282","span":{"begin":0,"end":8},"obj":"Sentence"},{"id":"T283","span":{"begin":10,"end":134},"obj":"Sentence"},{"id":"T284","span":{"begin":135,"end":173},"obj":"Sentence"},{"id":"T285","span":{"begin":174,"end":219},"obj":"Sentence"},{"id":"T286","span":{"begin":220,"end":300},"obj":"Sentence"},{"id":"T287","span":{"begin":301,"end":383},"obj":"Sentence"},{"id":"T288","span":{"begin":384,"end":461},"obj":"Sentence"},{"id":"T289","span":{"begin":462,"end":536},"obj":"Sentence"},{"id":"T290","span":{"begin":537,"end":615},"obj":"Sentence"},{"id":"T291","span":{"begin":616,"end":696},"obj":"Sentence"},{"id":"T292","span":{"begin":697,"end":780},"obj":"Sentence"},{"id":"T293","span":{"begin":781,"end":865},"obj":"Sentence"},{"id":"T294","span":{"begin":866,"end":891},"obj":"Sentence"},{"id":"T295","span":{"begin":892,"end":925},"obj":"Sentence"},{"id":"T296","span":{"begin":926,"end":951},"obj":"Sentence"}],"namespaces":[{"prefix":"_base","uri":"http://pubannotation.org/ontology/tao.owl#"}],"text":"Table 4. Energetic components of the binding free energy of RdRp and natural polyphenols along with remdesivir complexes in kcal/mol. Data are represented as average ± SEM.\nComponents Remdesivir EGCG TF3 TF2b TF2a\nΔEvdW −31.85 ± 0.15 −25.11 ± 0.18 −37.82 ± 0.21 −30.66 ± 0.23 −22.55 ± 0.19\nΔEelec −98.40 ± 0.70 −69.38 ± 0.73 −123.63 ± 0.88 −47.18 ± 0.64 −95.28 ± 1.27\nΔGpol 109.97 ± 0.57 71.62 ± 0.48 124.47 ± 0.58 55.01 ± 0.49 94.94 ± 1.10\nΔGnp −4.29 ± 0.01 −4.15 ± 0.01 −5.29 ± 0.01 −3.91 ± 0.01 −4.28 ± 0.02\naΔGsolv 105.68 ± 0.57 67.47 ± 0.48 119.18 ± 0.58 51.1 ± 0.49 90.66 ± 1.10\nbΔGpol + elec 11.57 ± 0.90 2.24 ± 0.87 0.84 ± 1.05 7.83 ± 0.80 −0.34 ± 1.68\ncΔEMM −130.25 ± 0.71 −94.49 ± 0.75 −161.45 ± 0.90 −77.84 ± 0.68 −117.83 ± 1.28\nΔGbindSim −24.57 ± 0.91 −27.02 ± 0.89 −42.27 ± 1.07 −26.74 ± 0.83 −27.17 ± 1.69\na ΔGsolv = ΔGnp + ΔGpol,\nb ΔGpol + elec = ΔEelec + ΔGpol,\nc ΔEMM = ΔEvdW + ΔEelec."}