Table 1.

Physicochemical parameters and molecular docking scores of Rhus spp. (sumac) compounds obtained with 6LU7.

Compounds	Mol. dock scores (kcal/mol)	Protein ligand interactions	Hydrogen bonds energy (kcal/mol)	Properties
Favipiravir (Avigan)	−65.45	−75.47	−2.99	MW = 157.104; H-donor = 3; H-acceptor = 3
Chloroquine	−123.62	−135.43	−6.32	MW = 319.872; H-donor = 1; H-acceptor = 2
(1) Methyl 3,4,5-trihydroxybenzoate	−81.82	−72.2	−22.6	MW = 184.15; H-donor = 4; H-acceptor = 5
(2) 3,5-Dihydroxy-4-methoxybenzoic acid	−83.17	−75.33	−11.11	MW = 184.15; H-donor = 2; H-acceptor = 5
(3) 3,4,5-Trihydroxybenzoic acid	−73.23	−66.5	−12.02	MW = 170.12; H-donor = 3; H-acceptor = 5
(4) 6-(5-(5,7-Dihydroxy-4-oxochroman-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one	−135.36	−167.5	−13.5	MW = 540.47; H-donor = 8; H-acceptor = 10
(5) 8-(5-(5,7-Dihydroxy-4-oxochroman-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4 hydroxycyclohexa-1,5-dien-1-yl)-4H-chromen-4-one	−169.74	−194.15	−13.35	MW = 542.49; H-donor = 8; H-acceptor = 10
(6) 5,5′,7′-Trihydroxy-2,2′-bis(4-hydroxyphenyl)-4H,4′H-[6,8′-bichromene]-4,4′-dione	−150.98	−178.50	−12.79	MW = 522.46; H-donor = 7; H-acceptor = 9
(7) 8-(5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochroman-3-yl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one	−155.04	−180.40	−13.26	MW = 540.47; H-donor = 8; H-acceptor = 10
(8) 5,5′,7,7′-Tetrahydroxy-2,2′-bis(4-hydroxyphenyl)-[6,6′-bichroman]-4,4′-dione	−151.40	−180.91	−14.47	MW = 542.49; H-donor = 8; H-acceptor = 10
(9) 5,5′,7,7′-Tetrahydroxy-2,2′-bis(4-hydroxyphenyl)-[6,8′-bichroman]-4,4′-dione	−146.88	−173.17	−1120	MW = 542.49; H-donor = 8; H-acceptor = 10
(10) 2-(3,4-Dihydroxyphenyl)-3,7-dihydroxychroman-4-one	−146.88	−173.17	−13.76	MW = 288.25; H-donor = 5; H-acceptor = 6
(11) 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxychroman-4-one	−97.47	−121.77	−11.52	MW = 304.25; H-donor = 6; H-acceptor = 7
(12) (Z)-1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-hydroxyprop-2-en-1-one	−132.84	−142.30	−21.83	MW = 288.25; H-donor = 6; H-acceptor = 6
(13) (Z)-2-(3,4-Dihydroxybenzylidene)-6-hydroxybenzofuran-3(2H)-one	−125.38	−129.38	−14.31	MW = 270.24; H-donor = 4; H-acceptor = 5
(14) 2-((10Z,13E,15E)-Heptadeca-10,13,15-trien-1-yl)phenol	−93.31	−109.19	0.0	MW = 326.52; H-donor = 1; H-acceptor = 1–22
(15) 2-((10Z,13E,15E)-Heptadeca-10,13,15-trien-1-yl)benzene-1,4-diol	−141.68	−137.25	−5.39	MW = 342.51; H-donor = 2 H-acceptor = 2
(16) (Z)-2-(Heptadec-10-en-1-yl)benzene-1,4-diol	−131.14	−126.86	−4.54	MW = 346.55; H-donor = 2; H-acceptor = 2
(17) 2-Hydroxy-6 pentadecylbenzoic acid	−138.40	−134.16	−3.73	MW = 348.52; H-donor = 1; H-acceptor = 3
(18) 5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one	−116.41	−130.34	−5.51	MW = 298.29; -donor = 2; H-acceptor = 5
(19) 5-Hydroxy-2-(4-hydroxyphenyl)-7-methoxychroman-4-one	−107.68	123.39	−7.61	MW = 286.28; H-donor = 3; H-acceptor = 5
(20) 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychroman-4-one	−104.17	−121.38	−9.6	MW = 288.25; H-donor = 6; H-acceptor = 6
(21) 5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one	−114.79	−129.56	−6.3	MW = 298.29; H-donor = 2; H-acceptor = 5
(22) 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)chroman-4-one	−109.41	−130.17	−13.34	MW = 288.25; H-donor = 5; H-acceptor = 6
(23) 2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-chromen-4-one	−105.80	−125.70	−15.57	MW = 316.26; H-donor = 5; H-acceptor = 7
(24) 5-Hydroxy-2-(4-hydroxy-3-(5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochroman-8-yl)phenyl)-7-methoxy-4H-chromen-4-one	−179.18	−189.69	−13.35	MW = 568.53; H-donor = 6; H-acceptor = 10
(25) 2-(3,4-Dihydroxyphenyl)-3,7-dihydroxychroman-4-one	−106.43	−115.60	−8.57	MW = 288.25; H-donor = 5; H-acceptor = 6
(26) 3,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one	−107.14	−123.05	−17.21	MW = 272.25; H-donor = 4; H-acceptor = 5