Table 2.

The binding affinity of 61 phytochemicals.

Name of natural compounds	ZINC number	Binding Affinity (Kcal/mol)	Name of natural compounds	ZINC number	Binding Affinity (Kcal/mol)
Ginkgetin	3,979,028	−10.3	Myristicin	620,709,870	−8.6
Hypericin	28,705,885	−10.3	Medicarpin	13,485,420	−8.6
Robustaflavone	40,763,477	−9.6	Coptisine	6,069,258	−8.6
Hinokiflavone	4,098,521	−9.3	Tiliroside	49,888,963	−8.6
Agathisflavone	85,566,557	−9.2	Glabrone	14,658,666	−8.6
Swertianolin	33,830,763	−9.1	Colchicine	38,494,624	−8.6
Ononin	71,789,593	−9.1	Lignans	13,473,815	−8.5
Pedunculoside	49,898,882	−9	Daidzein	1,898,781	−8.5
Quercetin	98,083,363	−8.9	Catechin	66,258,345	−8.5
Camptothecin	29,390,846	−8.9	Phillyrin	1,532,044	−8.5
Imperialine	101,084,934	−8.9	Gastrodin	8,834,580	−8.5
Emodin	12,960,987	−8.9	Obacunone	100,003,095	−8.5
Peimisine	100,037,427	−8.9	Cordycepin	95,539,308	−8.5
Batatasin I	73,224,987	−8.9	Ajugol	35,455,106	−8.4
Pomiferin	14,692,098	−8.9	Evodiamine	2,031,813	−8.4
Coumarin	150,340,486	−8.8	Nuciferine	320,698	−8.4
Hesperetin	1,660,863	−8.8	Bergamottin	2,103,110	−8.4
Ursolic acid	29,553,661	−8.8	Cynarin	95,601,892	−8.4
Rhodionin	1,531,663	−8.8	Betulin	96,023,899	−8.4
Aloin	101,529,211	−8.8	Gramine	72,127,032	−8.4
Sarsasapogenin	118,916,629	−8.8	Puerarin	33,832,535	−8.3
Magnolol	59,530,776	−8.8	Limonin	1,280,471	−8.3
Paclitaxel	257,101,405	−8.7	Sesamin	38,147,404	−8.3
Silydianin	31,457,053	−8.7	Narciclasine	40,424,184	−8.3
Rutaecarpine	85,876,671	−8.7	Ellagic acid	1,227,574,377	−8.3
Morusin	299,869,393	−8.7	Vitexin	95,913,589	−8.3
α-Mangostin	15,256,039	−8.7	Resveratrol	1,661,001	−8.3
Yohimibine	13,139,106	−8.7	Protopanaxatriol	257,349,206	−8.3
Coclaurine	11,422,321	−8.7	Karanjin	14,618,800	−8.3
Strychnine	71,782,841	−8.7	Gigantol	57,770,685	−8.3
Berberine	40,379,008	−8.6	Conivaptan	12,503,187	−8.2