Network pharmacology of lycopene and Molecular Docking with Top Hub Proteins
Paudel, N.; Umme, H.; Awasthi, N. P.; Hanumantappa, M.; Lakshminarayana, R.
Show abstract
BackgroundLycopene is one of the potent antioxidants in the family of carotenoids that scavenges Reactive Oxygen Species (ROS) singlet oxygen which has been associated with various pathological consequences including atherosclerosis myocardial infarction, and stroke and Sex hormone-induced cancers like breast cancer, endometrial cancer and prostate cancer. As multiple pathways are involved in the manifestation of aforementioned diseases initiated at the behest of ROS, it would be appropriate to understand the likely pathways triggered by the ROS and its eventual control by the action of lycopene through network pharmacology study, a robust paradigm for drug discovery via modulation of multiple targets. Results124 proteins were mined from CTD and STITCH databases, which showed some relationship with lycopene, among them strong association was found with TP53, STAT3 and CDK1 proteins. Lycopene showed a strong affinity with these proteins by hydrophobic interactions. ConclusionThe topological analysis of a network created by the lycopene relevant genes showed its role as a potential therapeutic agent in cancer which further requires in vitro and in vivo studies to confirm these findings.
Matching journals
The top 9 journals account for 50% of the predicted probability mass.
Similar papers in this journal
- Identification of Natural Antiviral Drug Candidates Against Tilapia Lake Virus: Computational Drug Design Approaches 97%
- In silico analysis and in planta production of recombinant ccl21/IL1β protein and characterization of its in vitro anti-tumor and immunogenic activity 96%
- Molecular docking, simulation and binding free energy analysis of small molecules as PfHT1 inhibitors 96%
Similar papers in this journal
- Molecular Docking studies of Phytocompounds of Rheum emodi Wall with proteins responsible for antibiotic resistance in bacterial and fungal pathogens: In silico approach to enhance the bio-availability of antibiotics 97%
- A program to automate the discovery of drugs for West Nile and Dengue virus -- programmatic screening of over a billion compounds on PubChem, generation of drug leads and automated In Silico modelling 96%
- Molecular Elucidation of Pancreatic Elastase Inhibition by Baicalein 95%
Similar papers in this journal
- Machine learning prediction of antiviral-HPV protein interactions for anti-HPV pharmacotherapy 95%
- Novel Peptide Inhibitor of Human Tumor Necrosis Factor-α has Antiarthritic Activity 95%
- In vitro screening of anti-viral and virucidal effects against SARS-CoV-2 by Hypericum perforatum and Echinacea. 95%
Similar papers in this journal
- Integrated bioinformatics analysis reveals novel key biomarkers and potential candidate small molecule drugs in gestational diabetes mellitus 97%
- Identification and verification of 3 key genes associated with survival and prognosis of patients with colon adenocarcinoma via integrated bioinformatics analysis 94%
- A virus that has gone viral: Amino acid mutation in S protein of Indian isolate of Coronavirus COVID-19 might impact receptor binding and thus infectivity 92%
Similar papers in this journal
- Elucidation of Structural Mechanism of ATP Inhibition at the AAA1 Subunit of Cytoplasmic Dynein 1 Using a Chemical "Toolkit" 95%
- From miRNA target gene network to miRNA function: miR-375 might regulate apoptosis and actin dynamics in the heart muscle via Rho-GTPases-dependent pathways 95%
- Possible link between higher transmissibility of B.1.617 and B.1.1.7 variants of SARS-CoV-2 and increased structural stability of its spike protein and hACE2 affinity 94%
"Similar papers" are the closest papers from that journal in the model's embedding space. They show what the match is built on, but the ranking comes mostly from a classifier over the whole training set, not from these examples alone.