Nimbolide inhibits tumor growth by restoring hepatic tight junction protein expression and reduced inflammation in an experimental hepatocarcinogenesis

Table 1 Mean tumor volume and tumor growth inhibition (%) in the experimental mice

Experimental groups	Mean tumor volume (mm3)	Tumor growth inhibition (%)
HCC	78.45 ± 11.87	-
HCC + nimbolide	37.60 ± 5.26e	52.08
HCC + doxorubicin	35.73 ± 8.09e	54.45

^eP < 0.01. HCC: Hepatocellular carcinoma.

Table 2 Mitotic index in the naïve and experimental mice

Experimental groups	Mitotic index/10 HPF
Naïve	0/10 HPF
Naïve + nimbolide	0/10 HPF
HCC	3-4/10 HPF
HCC + nimbolide	1-2/10 HPF
HCC + doxorubicin	1-2/10 HPF

HCC: Hepatocellular carcinoma; 10/HPF: 10 high power field (400 ×).

Table 3 Binding affinity and interaction of nimbolide with different amino-acid residues of zonula occludens 1, nuclear factor of kappa light polypeptide gene enhancer in B-cells and tumor necrosis factor alpha proteins. Binding affinity is represented as Glide score (kcal/moL)

S. No.	Proteins	Nimbolide (CID: 100017)
		Glide score (kcal/moL)	Hydrogen bonds	Hydrophobic interaction
1	ZO-1 (PDB ID: 2RRM)	-9.28	Arg 757, Lys 760, Asn 764, Asn 765	Ala 623, Pro 710, Lys 760, Leu 761
2	NF-κB (PDB ID: 1VKX)	-7.62	Lys 28, Arg 33, Ser 45	Arg 33, Arg 35, Pro 47
3	TNF-α (PDB ID: 2TNF)	-8.84	Lys 98, Tyr 119	Ala 96, Pro 117, Ile 118, Tyr 119

ZO-1: Zonula occludens 1; PDB: Protein data bank archive; NF-κB: Nuclear factor of kappa light polypeptide gene enhancer in B-cells; TNF-α: Tumor necrosis factor alpha.