PMC:7441777 / 9936-12499 JSONTXT

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{"target":"https://pubannotation.org/docs/sourcedb/PMC/sourceid/7441777","sourcedb":"PMC","sourceid":"7441777","source_url":"https://www.ncbi.nlm.nih.gov/pmc/7441777","text":"Table 1. Binding energy (kcal/mol) of the natural polyphenols along with the control compounds (GTP and remdesivir) against RdRp of the SARS-CoV-2 (PDB ID: 6M71) by molecular docking study.\nS. No. Compound Name Binding energy (kcal/mol) S. No. Compound Name Binding energy (kcal/mol)\n1 TF3 −9.9 52 Cyanidin −6.3\n2 TF2b −9.6 53 Daidzein −6.3\n3 TF1 −9.6 54 Glycitein −6.3\n4 TF2a −9.3 55 Wogonin −6.3\n5 Hesperidin −8.8 56 Phloretin −6.3\n6 EGCG −7.3 57 Catechin −6.2\n7 Myricetin −7.2 58 Urolithin B −6.2\n8 Quercetagetin −7.0 59 Angolensin −6.2\n9 Quercetin −6.9 60 Pinosylvin −6.2\n10 Curcumin −6.9 61 Formononetin −6.2\n11 Dihydrorobinetin −6.8 62 Liquiritigenin −6.2\n12 Peonidin −6.8 63 Prunetin −6.2\n13 Fisetin −6.8 64 Alpinetin −6.2\n14 Robinetin −6.7 65 Biochanin A −6.2\n15 5-Deoxygalangin −6.7 66 Rhapontigenin −6.1\n16 Kaempferol −6.7 67 Genistein −6.1\n17 Scutellarein −6.7 68 Chrysin −6.1\n18 (-)-Epicatechin −6.7 69 6-Hydroxyflavone −6.1\n19 Purpurin −6.7 70 Equol −6.1\n20 Isorhamnetin −6.7 71 Piceatannol −6.1\n21 Tricetin −6.6 72 Isorhapontigenin −6.0\n22 Gossypetin −6.6 73 Resveratrol −5.8\n23 Norathyriol −6.6 74 Danshensu −5.7\n24 Coumestrol −6.6 75 Eugenin −5.6\n25 Isosakuranetin −6.6 76 Sinapic acid −5.5\n26 Pectolinarigenin −6.6 77 Pterostilbene −5.5\n27 Tangeritin −6.6 78 Ferulic acid −5.4\n28 Nobiletin −6.6 79 Caffeic acid −5.4\n29 Pratensein −6.6 80 Isoferulic acid −5.4\n30 Hispidulin −6.6 81 Dihydrocaffeic acid −5.4\n31 Baicalein −6.5 82 Gentisic acid −5.3\n32 Apigenin −6.5 83 Pyrogallol −5.3\n33 Morin −6.5 84 4-Hydroxycinnamic acid −5.2\n34 Urolithin A −6.5 85 Resacetophenone −5.2\n35 Acacetin −6.5 86 Salicyclic acid −5.1\n36 Pelargonidin −6.5 87 Syringic acid −5.1\n37 Irilone −6.5 88 2-Hydroxybenzoic acid −5.1\n38 Naringenin −6.5 89 Gallic acid −5.0\n39 Pinocembrin −6.5 90 3-Hydroxybenzoic acid −5.0\n40 Kaempferide −6.5 91 4-Hydroxybenzoic acid −5.0\n41 Malvidin −6.5 92 Vanillin −5.0\n42 Luteolin −6.4 93 p-Coumeric acid −4.9\n43 Dalbergin −6.4 94 Vanillic acid −4.8\n44 Butein −6.4 95 Paeonol −4.8\n45 Biochanin A (1-) −6.4 96 Cinnamic acid −4.7\n46 Fustin −6.4 97 Protocatechuic acid −4.6\n47 5-Hydroxyflavone −6.4 98 4-Ethylphenol −4.5\n48 Pinostrobin −6.4 99 Catechol −4.5\n49 Pinobanksin −6.4 100 Tyrosol −4.5\n50 Datiscetin −6.3 101 GTP −7.9\n51 Galangin −6.3 102 Remdesivir 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