Abstract
ABSTRACTCervical cancer is the fourth most common malignancy among women, which also turns out to be the most common cause of death in women worldwide. Medicinal plants have traditionally been used to treat various diseases and disorders. The current study utilizes the molecular docking technique to investigate the anticancer potential ofJuglans regiaphytoconstituents against cervical cancer target proteins. This study includes the microarray dataset analysis of GSE63678 from the NCBI Gene Expression Omnibus database to identify differentially expressed genes. Furthermore, network biology approaches were employed to construct protein-protein interaction of differentially expressed genes. Next, the computation of topological parameters utilizing Cytohubba renders the top five hub genes (IGF1, FGF2, ESR1, MYL9, and MYH11). In addition,Juglans regiaphytocompounds mined from the IMPPAT database were subjected to molecular docking analysis against identified hub genes. The application of molecular dynamics simulation validated the stability of prioritized docked complexes with minimum binding energy.
Publisher
Cold Spring Harbor Laboratory
Reference62 articles.
1. Clust: automatic extraction of optimal co-expressed gene clusters from gene expression data
2. Identifying novel inhibitor of quorum sensing transcriptional regulator (SdiA) of Klebsiella pneumoniae through modeling, docking, and molecular dynamics simulation;J Biomol Struct Dyn,2021
3. Ajucarmelprecilla A , Pandi J , Dhandapani R , Ramanathan S , Chinnappan J , Paramasivam R , Thangavelu S , Mohammed Ghilan AK , Aljohani SAS , Oyouni AAA , Farasani A , Altayar MA , Althagafi HAE , Alzahrani OR , Durairaj K , Shrestha A. In Silico Identification of Hub Genes as Observing Biomarkers for Gastric Cancer Metastasis. Evid Based Complement Alternat Med. 2022 Apr 30 ;2022:6316158.
4. Systematic structure guided clustering of chemical lead compounds targeting RdRp of SARS-CoV-2;Minerva Biotechnology and Biomolecular Research,2022
5. Targeting the insulin-like growth factor-1 receptor in human cancer;Front Pharmacol,2013