Skip to main content

View full-text article in PMC

. 2014 Mar 21;19(3):3489–3507. doi: 10.3390/molecules19033489

Table 4.

Thermodynamics (ΔG^PC−ET and ΔG^ET in kcal/mol) of the DPPH and CH₃OO^• free radical scavenging by styrylpyrone derivatives.

	ΔG^PC−ET				ΔG^ET
	DPPH		CH₃OO^•		DPPH		CH₃OO^•
	Gas	PCM	Gas	PCM	Gas	PCM	Gas	PCM
(a) B3P86//First PC-ET
Hispidin	−4.27	−0.12	−8.76	−8.13	88.50	22.20	143.63	41.55
3,14'−Bihispidinyl	−4.10	0.09	−8.59	−7.91	74.25	19.45	129.38	38.80
Hypholomine B	−3.29	−0.28	−7.78	−8.28	87.50	22.63	142.63	41.98
Pinilidin	−4.54	−0.15	−9.02	−8.16	75.65	20.21	130.78	39.56
(b) B3P86//Second PC-ET
Hispidin	4.04	3.42	−0.45	−4.58	93.84	25.88	148.97	45.22
3,14'-Bihispidinyl	2.41	2.06	−2.07	−5.94	81.36	22.98	136.49	42.32
Hypholomine B	1.67	1.13	−2.82	−6.88	92.45	25.64	147.59	44.99
Pinilidin	4.09	2.04	−0.40	−5.97	82.16	23.00	137.29	42.34
(c) MPWB1K//First PC-ET
Hispidin	−2.26	1.34	−5.78	−5.07	43.94	26.24	163.06	46.97
3,14'-Bihispidinyl	−2.00	1.51	−5.33	−4.90	81.13	24.85	146.25	45.58
Hypholomine B	−1.18	1.22	−4.71	−5.19	97.51	27.24	162.63	47.96
Pinilidin	−2.36	1.39	−5.89	−4.41	85.23	25.53	150.35	123.55
(d) MPWB1K//Second PC-ET
Hispidin	18.25	17.15	0.13	−3.66	109.41	40.95	163.91	50.20
3,14'-Bihispidinyl	16.92	15.79	13.10	9.38	96.93	38.05	162.05	50.87
Hypholomine B	15.88	14.85	12.35	8.44	108.2	40.72	173.14	61.44
Pinilidin	18.30	15.76	14.77	9.35	97.73	38.07	162.85	58.79