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. 2022 Mar 7;22:57. doi: 10.1186/s12906-022-03534-z

Table 2.

Interaction parameters of core targets with quercetin

Targets Hydrogen bonding Pi-Alkyl Pi-Sigma Pi-Pi
IL-6

ARG-179(2.4, 1.9)

SER-176(2.4)

GLU-172(1.8)

PHE-173(2.7)

LYS-66(1.8)

MET-67(2.1)

SER-169(2.0)

LEU-165(4.4)

LYS-66(5.3)

ALA-58(4.6)

GLU-55(3.3, 4.1, 4.9)

LEU-64(2.8)

 –
IL-1B

GLU-37(3.0, 2.1)

GLN-39(3.1)

MET-20(2.0, 2.2, 2.5)

LYS-63(1.8)

LYS-209(4.9)

PRO-118(5.2)

ALA-117(3.3, 4.0)

ARG-120(3.8, 4.4, 4.8, 5.4)

 – HIS-115(4.2)
NOS3

ARG-70(2.0)

TRY-475(2.2, 3.3)

ARG-474(2.3, 2.7)

ARG-107(2.2, 2.4)

LEU-431(5.2, 4.9, 4.9)

VAL-71(5.5)

 VAL-71(2.7) –
PON1

GLU-56(3.4)

ASN-227(2.0, 2.0, 2.5)

PRO-230(2.7)

SER-272(2.2)

VAL-336(2.2)

VAL-346(5.2)

ILE-291(4.4)

 –

PHE-292(4.5)

TYR-71(4.9)
EGFR

LEU-1017(2.1)

GLU-1015(1.9, 2.7)

ASP-1009(1.8, 2.1)

GLU-736(2.0)

LEU-844(4.2, 4.9)

ALA-743(4.7)

VAL-726(5.3)

LYS-745(5.0, 4.9)

LEU-788(5.3)

 – –