Id |
Subject |
Object |
Predicate |
Lexical cue |
T216 |
0-525 |
Sentence |
denotes |
The application of COVID-19 docking server and Discovery Studio software elucidated the interactions between the 20 lead-likeness compounds (S1, W5, MX17, MX16, W11, M5, XO1, MXO1, SO1, WO1, X4, MX8, M3, S5, SX1, O1, X2, X1, O2, MS1) and the 10 nonstructural and 2 structural proteins (Mpro, PLpro, nsp12 [RdRp with RNA], nsp12 [RdRp without RNA], nsp13 [Helicase ADP site], nsp13 [Helicase NCB site], nsp14 [ExoN], nsp14 [N7-MTase], nsp15 [endoribonuclease], nsp16 [2′-O-MTase], N protein NCB site, E protein [ion channel]). |
T217 |
526-580 |
Sentence |
denotes |
The docking scores were depicted in Table 3, Table 4 . |
T218 |
581-725 |
Sentence |
denotes |
The smaller of docking score, the lower of energy would be required, which means the binding between the compounds and the targets are stronger. |
T219 |
726-803 |
Sentence |
denotes |
There are 9 compounds presenting better bonding ability than other compounds. |
T220 |
804-886 |
Sentence |
denotes |
Table 3 Docking score between specific ingredients of QFPD and 2019-nCov proteins. |
T221 |
887-929 |
Sentence |
denotes |
Molecule M3 M5 S1 S5 W11 W5 X1 X2 X4 O1 O2 |
T222 |
930-998 |
Sentence |
denotes |
Main Protease −7.7 −7.3 −6.8 −6.9 −7.2 −7.5 −7.1 −7.9 −7.3 −7.1 −7.4 |
T223 |
999-1070 |
Sentence |
denotes |
Papain-like protease −8.7 −8.5 −9.9 −7.7 −8 −8 −8.4 −8.7 −8.2 −8.6 −8.2 |
T224 |
1071-1139 |
Sentence |
denotes |
RdRp with RNA −8.4 −8.5 −8.5 −8.3 −9.1 −9.1 −8.4 −8.2 −8.2 −8.3 −8.6 |
T225 |
1140-1211 |
Sentence |
denotes |
RdRp without RNA −6.8 −6.8 −6.9 −6.8 −6.7 −6.9 −7.1 −7.2 −6.5 −7.3 −7.1 |
T226 |
1212-1280 |
Sentence |
denotes |
Helicase ADP site −6.3 −6.3 −7.3 −6.5 −6 −6 −6.3 −6.5 −6.2 −6.1 −6.5 |
T227 |
1281-1353 |
Sentence |
denotes |
Helicase NCB site −7.9 −6.9 −7.2 −7.1 −7.2 −7.2 −7.4 −7.5 −7.3 −7.4 −7.4 |
T228 |
1354-1420 |
Sentence |
denotes |
Nsp14(ExoN) −6.8 −6.6 −6.3 −6.4 −6.9 −6.8 −6.7 −6.9 −6.4 −6.6 −6.9 |
T229 |
1421-1489 |
Sentence |
denotes |
Nsp14(N7-MTase) −8.8 −8.1 −8.5 −7.5 −8.4 −8.4 −8.3 −8.5 −8 −8.3 −8.5 |
T230 |
1490-1568 |
Sentence |
denotes |
Nsp15(endoribonuclease) −6.6 −6.3 −6.3 −5.9 −6.2 −6.2 −6.2 −6.3 −6.2 −6.4 −6.4 |
T231 |
1569-1641 |
Sentence |
denotes |
Nsp16(2′-O-MTase) −7.5 −7.4 −7.5 −7.2 −8.2 −8.2 −7.7 −7.9 −7.7 −7.9 −8.4 |
T232 |
1642-1711 |
Sentence |
denotes |
N protein NCB site −7.6 −7.5 −7.8 −7.6 −7.6 −7.6 −8 −8 −7.5 −7.6 −7.6 |
T233 |
1712-1787 |
Sentence |
denotes |
E protein(ion channel) −8.1 −7 −7.8 −6.7 −6.4 −6.4 −7.2 −7.3 −7.2 −7.1 −6.8 |
T234 |
1788-1816 |
Sentence |
denotes |
M: MXSG, S: SGMH, X: XCH, O: |
T235 |
1817-1824 |
Sentence |
denotes |
Others. |
T236 |
1825-1916 |
Sentence |
denotes |
Table 4 Evaluation of the effect of QFPD on the robustness disturbance of COVID-19 network. |
T237 |
1917-1960 |
Sentence |
denotes |
Topology MXSG SGMH XCH WLS Others BXTM YDBF |
T238 |
1961-2006 |
Sentence |
denotes |
DTS 25.66 26.71 21.02 17.64 23.16 14.52 22.71 |
T239 |
2007-2051 |
Sentence |
denotes |
AC −4.63 −5.21 −3.02 −3.49 −5.38 −2.32 −3.78 |
T240 |
2052-2094 |
Sentence |
denotes |
APL 13.35 13.40 9.96 6.49 10.66 4.59 11.17 |
T241 |
2095-2140 |
Sentence |
denotes |
CoC −1.44 −1.64 −1.59 −1.30 −1.23 −1.15 −1.25 |
T242 |
2141-2186 |
Sentence |
denotes |
ClC −6.24 −6.46 −6.45 −6.36 −5.88 −6.46 −6.52 |
T243 |
2187-2372 |
Sentence |
denotes |
Average connectivity (AC), Connection centrality (CoC), Closeness centrality (ClC): the larger the quotient is, the more stable the network and, the less the influence made by the drug. |
T244 |
2373-2548 |
Sentence |
denotes |
Disturbance total score (DTS), Average length of shortest path (APL), : the larger the quotient is, the less stable the network and, the larger the influence made by the drug. |
T245 |
2549-2580 |
Sentence |
denotes |
Negative control formula: BXTM. |
T246 |
2581-2612 |
Sentence |
denotes |
Positive control formula: YDBF. |