ARCHIVES
VOL. 11, ISSUE 3 (2026)
Deciphering the role of ANLN as a key driver in virus-induced hepatocellular carcinoma through transcriptomic analysis and structure-based drug discovery
Authors
Khushboo Kirade, Arav Sharma, Nandan Dixit, Hamendra Singh Parmar, Saumya K Patel
Abstract
Hepatocellular carcinoma (HCC) associated with chronic viral hepatitis
caused by hepatitis B virus (HBV), hepatitis C virus (HCV), and hepatitis D
virus (HDV) remains a major global health challenge. In this study, an
integrative bioinformatics approach was employed to investigate the molecular
mechanisms underlying viral hepatitis-associated HCC using eight Gene
Expression Omnibus (GEO) datasets (GSE107170, GSE62232, GSE44074, GSE19665,
GSE98383, GSE47197, GSE63214, and GSE69715), comprising tumour and adjacent
non-tumour liver tissues from HBV-, HCV-, and HDV-infected patients.
Differential gene expression analysis identified thousands of differentially
expressed genes (DEGs), and Venn diagram analysis revealed 65 genes that were
consistently upregulated across all three viral infection groups. Functional
enrichment analyses, including Gene Ontology (GO) and Kyoto Encyclopedia of
Genes and Genomes (KEGG), highlighted key biological processes, molecular
functions, cellular components, and signalling pathways involved in viral
hepatitis-induced hepatocarcinogenesis. Protein–protein interaction (PPI)
network analysis, followed by CytoHubba-based hub gene identification,
uncovered ten key hub genes—CDK1, ASPM, KIF23, TTK, ANLN, KIF20A, HMMR, BIRC5,
RRM2, and KIF14—all of which exhibited significant differential expression and
prognostic significance. Virtual screening of 30,926 natural compounds from the
NPASS database against ANLN (PDB ID: 4XH3) identified five promising lead
candidates, with 4-(4,5-Dihydroxy-2-(Hydroxymethyl) Benzyl) Benzene-1,2-Diol
(NPC471485) showing the highest docking affinity (−7.166 kcal/mol). However,
subsequent 500 ns molecular dynamics simulations and MM/GBSA binding free
energy analyses demonstrated that Dihydrobinetin (NPC325028) formed the most
thermodynamically stable complex with ANLN, exhibiting a binding free energy
(ΔG_Bind) of −45.05 kcal/mol. Collectively, these findings provide
comprehensive insights into the molecular landscape of viral
hepatitis-associated HCC and establish a strong computational basis for the
development of ANLN-targeted therapeutic strategies.
Download
Pages:119-127
How to cite this article:
Khushboo Kirade, Arav Sharma, Nandan Dixit, Hamendra Singh Parmar, Saumya K Patel "Deciphering the role of ANLN as a key driver in virus-induced hepatocellular carcinoma through transcriptomic analysis and structure-based drug discovery". International Journal of Botany Studies, Vol 11, Issue 3, 2026, Pages 119-127
Download Author Certificate
Please enter the email address corresponding to this article submission to download your certificate.