Clove Flower Extract (Syzygium aromaticum) Has Anticancer Potential Effect Analyzed by Molecular Docking and Brine Shrimp Lethality Test (BSLT)

Table 2

Grid-score results and hydrogen bond interactions.

Protein	Ligand	Grid-score	H-bond number	Residue (H-Bond length, Å)
Estrogen receptor-α	Eugenol	−29.758898	2	Lys145 (2.455); Ile82 (2.637)
	Eugenol acetate	−34.403477	0
	Caryophyllene	−18.799114	0
	Tamoxifen	−66.970085	1	Glu49 (1.954); Arg90 (2.046)
MMP-2	Eugenol	−41.468246	0
	Eugenol acetate	−43.793243	1	Ser151 (2.388)
	Caryophyllene	−34.205738	0
	SC-74020	−109.474319	4	Leu83 (2.017); Ala84 (2.441); His120 (3.054); Glu121 (2.421)
PARP	Eugenol	−31.103073	1	Ser243 (2.205)
	Eugenol acetate	−36.013237	1	Ser203 (2.585)
	Caryophyllene	−32.597618	0
	FR257517	−63.837357	0
CDK2	Eugenol	−36.910698	2	Asp74 (1.845); Lys77 (1.815)
	Eugenol acetate	−41.676758	1	Lys33 (2.136)
	Caryophyllene	−40.535130	0
	Roscovitine	−71.813713	2	Leu71 (2.572; 1.992)
Chk1 kinase	Eugenol	−38.836273	3	Glu44 (1.504); Asn48 (2.658); Asp137 (1.801)
	Eugenol acetate	−39.099670	1	Asp137 (2.447)
	Caryophyllene	−35.456528	0
	Cpd. 54	−84.449051	5	Glu74 (1.844); Cys76 (1.793); Glu80 (1.634); Glu123 (2.297); Asp137 (1.966)
NO synthase	Eugenol	−41.503204	1	Tyr291 (2.208)
	Eugenol acetate	−42.120934	1	Gln181 (2.406)
	Caryophyllene	−35.420425	0
	AR-C95791	−61.271812	2	Tyr265 (2.129); Glu295 (1.937)
Human	Eugenol	−29.011292	0
Cytochrome	Eugenol acetate	−32.352654	0
P450	Caryophyllene	−31.890057	0
CYP17A1	Abiraterone	−61.819771	1	Asn172 (1.864)
BCL-2	Eugenol	−35.300983	0
	Eugenol acetate	−36.267906	0
	Caryophyllene	−28.939451	0
	ABT-199	−79.199051	1	Asn82 (2.186)
Cyclin A	Eugenol	−29.981400	2	Lys34 (2.082); Asp141 (2.623)
	Eugenol acetate	−31.090176	0
	Caryophyllene	−25.151398	0
	AZD5438	−60.700954	4	Lys34 (2.228); Leu79 (2.197); Leu79 (2.333); Asp82 (1.946)