. 2022 Aug 3;10:923503. doi: 10.3389/fcell.2022.923503

TABLE 2.

Docking profile of TTEPs with antrocinnamomin, antcin, and antrocin isolated from Taiwan Antrodia camphorata.

	Clopidogrel			Antcin			Antrocinnamomin			Antrocin
	FN1	NRCAM	ETV5	FN1	NRCAM	ETV5	FN1	NRCAM	ETV5	FN1	NRCAM	ETV5
ΔG (Kcal/mol)	−6.70	−5.50	−5.90	−7.50	−5.90	−7.0	−6.80	−5.50	−6.20	−6.80	−5.20	−5.90
Conventional	Gly504 (3.54), Arg411 (3.69), and Thr471 (2.25)		Lys437	Ile469 (2.24)	Gly82 (3.76) and	Gln372 (2.18)	Arg411 (2.21) and Pro462(3.21)	Non-Fav	Lys412 (2.96),	Arg439 (1.99)	Leu87 (3.35) and	Ser425 (2.35)
H-bond					Lys79 (3.02)				Gln369 (2.88), and		Tyr93 (1.96)
H-bond					Lys79 (3.02)				Ser425 (2.59)		Tyr93 (1.96)
Alkyl interaction		Val100	Arg427 and Lys437	Met463, Arg411, and	His81	Pro451, Val375, and Phe455	Phe460 and Arg503	Non-Fav	Tyr428	Tyr426, Trp445,	Lys56 and Lys71	Trp408, Lys412, and Tyr428
				Phe460	Met83, Leu73, and					Phe458, and
				Phe460	Phe75					Tyr452
Pi-pi stacked	Phe460		Thr430					Non-Fav	Tyr428
Pi-sigma		Thy74
Pi-cation		Arg51						Non-Fav	Arg414
Pi-sulfur	Met463						Met463
Amide-pi stacked	Arg 503
Van der Waals forces	Cys470, Gly502, Asp441, and Arg439	Gln48, Gln76, Gly104, Asn101, Gly49, Phe75, and Thr50	Ser423, Leu426, Tyr445, and Glu431	Gly504, Gly502, Glu468, Arg503, Met443, Gly412, Met477, Asp441, Arg439, Cys461, Gly475, and Thr471	Tyr54, Pro85, Thr74, and Ile72	Trp371, Asp452, Phe373, Met457, Thr376, and Leu368	Trp506, Met443, Gly412, Gly413, Ile469, Glu468, Glu505, Pro462, Cys461, Gly502, and Gly504	Non-Fav	Tyr429, Leu370, Trp408, and Arg424	Glu437 and	Glu88, Gly86, Tyr54, Trp55, and Glu69	Tyr429, Leu370, Leu368, Gln369, and Arg414
Van der Waals forces	Cys470, Gly502, Asp441, and Arg439	Gln48, Gln76, Gly104, Asn101, Gly49, Phe75, and Thr50	Ser423, Leu426, Tyr445, and Glu431		Tyr54, Pro85, Thr74, and Ile72	Trp371, Asp452, Phe373, Met457, Thr376, and Leu368		Non-Fav	Tyr429, Leu370, Trp408, and Arg424	Gly438	Glu88, Gly86, Tyr54, Trp55, and Glu69	Tyr429, Leu370, Leu368, Gln369, and Arg414